High Performance Computing

PALMA II

PALMA II ("Parallel Linux System for Münster Users") is a computer cluster with more than 18,000 processor cores, whose interaction enables the solution of highly complex tasks from science and research. In test operation, the Linpack benchmark was able to determine a total performance of 800 TFlops, making PALMA II one of the Top500 most powerful computer systems in the world in 2018.

Technical Data:
- over 18,000 processor cores
- computing power of over 800 TFlops
- 80 TB main memory
- 800 TB of hard disk space
Publications
2025
2024
2023
2022
2021
2020
2019
2018
2017
2016
2015
2014
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2012
2011
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2008
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2005
2004
2025
Schiller, Katharina, Janshoff, Saskia, Zenker, Sanja, Viehöver, Prisca, Hartwell, James, Eirich, Jürgen, Finkemeier, Iris, and Bräutigam, Andrea. 2025. “Regulation of Crassulacean acid metabolism at the protein level in Kalanchoë laxiflora.” Plant Physiology 197 (4). doi: 10.1093/plphys/kiaf095.
Eirich, Jürgen, Née, Guillaume, Krüger, Thorben, Gasper, Michael, Drotleff, Julia, Romera-Branchat, Maida, Gehring, Elena, Brandt, Dennis, Bell, Christopher, Kramer, Katharina, Soppe, Wim, Sodenkamp, Johanna, Finkemeier, Iris, and Ahloumessou, Florian. 2025. “DOG1 controls dormancy independently from ABA core signaling kinases regulation by preventing AFP dephosphorylation through AHG1.” . doi: 10.1126/sciadv.adr8502.
Seidel, Julian, Schönfeld, Caroline, Sindlinger, Julia, Eirich, Jürgen, Kirchgäßner, Sören, Kreienkamp, Nina, Schulze‐Osthoff, Klaus, Finkemeier, Iris, Hailfinger, Stephan, and Schwarzer, Dirk. 2025. “Interactome Profiling of a Lysine Deacetylase Trapping Probe Library Uncovers Crosstalk Between HDAC6 and NF‐κB Signaling.” Angewandte Chemie International Edition 2025 (e202510967). doi: 10.1002/anie.202510967.
Kartmann, Michael, Klein, Benedikt, Ohlberger, Mario, Schuster, Thomas, and Volkwein, Stefan. 2025. “Adaptive Reduced Basis Trust Region Methods for Parabolic Inverse Problems.” Preprint. arXiv doi: 10.48550/arXiv.2507.11130.
Brandt, Benjamin, Schwartz, Sebastian, Schwenkert, Serena, Krämer, Moritz, Om, Kuenzang, Engstler, Carina, Klingl, Andreas, Jahns, Peter, Eirich, Jürgen, Finkemeier, Iris, Cousins, Benjamin Asaph, and Kunz, Hans-Henning. 2025. “Plant cells tolerate high rates of organellar mistranslation.” Preprint. biorxiv.org doi: 10.1101/2025.03.07.642005.
Pielage, Leon, Schmidle, Paul, Marschall, Bernhard, and Risse, Benjamin. 2025. “Interactive High-Quality Skin Lesion Generation using Diffusion Models for VR-based Dermatological Education.” in IUI '25: Proceedings of the 30th International Conference on Intelligent User Interfaces, edited by Association for Computing Machinery. New York, NY, United States: ACM Press. doi: 10.1145/3708359.3712101.
Wolff, Matthias, Eilers, Florian, and Jiang, Xiaoyi. in Kürze. “CVKAN: Complex-valued Kolmogorov-Arnold Networks.” Preprint. in Proc. of IJCNN doi: 10.48550/arXiv.2502.02417.
Guljanov, Gaygysyz, and Mutschler, Willi. 2025. Data for: Chapter 2 of "Estimation of DSGE models: Skewness matters" : Comparison of optimizers and samplers in Dynare doi: 10.17879/44918563945.
Blossier, B., Neuendorf, J., Heitger, J., and San José, T. 2025. “The hadronic decay of vector charmonium.” contribution to the 41th International Symposium on Lattice Field Theory (Lattice 2024), Liverpool doi: 10.22323/1.466.0428.
Krämer, Alina, Meyer, Hanna, and Buchholz, Sascha. 2025. “Habitat Suitability of the Sand Lizard (Lacerta agilis) at Its Distribution Limit—An Analysis Based on Citizen Science Data and Machine Learning.” Journal of Biogeography 52 e15099. doi: 10.1111/jbi.15099.
Klein, Benedikt, and Ohlberger, Mario. 2025. “A Trust Region RB-ML-ROM Approach for Parabolic PDE Constrained Optimization.” Preprint. in MATHMOD 2025 - Discussion Contribution Volume, edited by Andreas Körner, Andreas Kugi, Wolfgang Kemmetmüller, Andreas Deutschmann-Olek, Andreas Steinböck, Christian Hartl-Nesic and Lukasz Piotr Jadachowski. Wien: ARGESIM Verlag. doi: 10.34726/9000.
Baur, Moritz, Schulz, Nora KE, Greune, Lilo, Länger, Zoe M, Eirich, Jürgen, Finkemeier, Iris, Peuss, Robert, Dersch, Petra, and Kurtz, Joachim. 2025. “Immune priming in the insect gut: a dynamic response revealed by ultrastructural and transcriptomic changes.” Preprint. BMC Biology 23. doi: 10.1186/s12915-025-02334-4.
Ruaud, S, Nötzold, SI, Waller, M, Galbier, F, Mousavi, SS, Charran, M, Zeeman, S, Bailly, A, Baroux, C, Hippler, M, Wicke, S, and Szövényi, P. 2025. “Molecular underpinnings of hornwort carbon concentrating mechanisms: subcellular localization of putative key molecular components in the model hornwort Anthoceros agrestis.” New Phytologist Early View. doi: 10.1101/2024.06.24.596764.
Hellmann, Margareta J., Marongiu, Gian Luca, Gorzelanny, Christian, Moerschbacher, Bruno M., and Cord-Landwehr, Stefan. 2025. “Hydrolysis of chitin and chitosans by the human chitinolytic enzymes: chitotriosidase, acidic mammalian chitinase, and lysozyme.” International Journal of Biological Macromolecules 297 (139789). doi: 10.1016/j.ijbiomac.2025.139789.
2024
Schiller, Katharina, Janshoff, Saskia, Zenker, Sanja, Viehöver, Prisca, Hartwell, James, Eirich, Jürgen, Finkemeier, Iris, and Bräutigam, Andrea. 2024. “Regulation of Crassulacean Acid Metabolism at the protein level in the CAM plant Kalanchoë laxiflora.” Preprint. biorxiv.org doi: 10.1101/2024.10.25.620298.
Wolters, SM, Laibach, N, Riekötter, J, Roelfs, KU, Müller, B, Eirich, J, Twyman, RM, Finkemeier, I, Prüfer, D, and Schulze, Gronover C. 2024. “The interaction networks of small rubber particle proteins in the latex of <i>Taraxacum koksaghyz</i> reveal diverse functions in stress responses and secondary metabolism.” Frontiers in Plant Science 15: 1498737–1498737. doi: 10.3389/fpls.2024.1498737.
Becker, Marlon, Butz, Marco, Lemli, David, Schuck, Carsten, and Risse, Benjamin. 2024. “Learning Proposal Distributions in Simulated Annealing via Template Networks: A Case Study in Nanophotonic Inverse Design.” in Pattern Recognition, Vol. 27 of 27th International Conference ICPR 2024, edited by Apostolos Antonacopoulos, Subhasis Chaudhuri, Rama Chellappa, Cheng-Lin Liu, Saumik Bhattacharya and Umapada Pal. Kolkata, India: Springer. doi: 10.1007/978-3-031-78186-5_13.
Bender, Alexander Boydere, Füsun Jayavelu, Ashok Kumar Tibello, Alessia König, Thorsten Aleth, Hanna Meyer zu Hörste, Gerd Vogl, and Thomas Rosenbauer, Frank. 2024. “Redistribution of PU.1 partner transcription factor RUNX1 binding secures cell survival during leukemogenesis.” The EMBO Journal 43: 6291–6309. doi: 10.1038/s44318-024-00295-y.
Böger, Thorben, Bernges, Tim, Agne, Matthias T., Canepa, Pieremanuele, Tietz, Frank, and Zeier, Wolfgang G. 2024. “On the Thermal Conductivity and Local Lattice Dynamical Properties of NASICON Solid Electrolytes.” Journal of the American Chemical Society 146 (47): 32678–32688. doi: 10.1021/jacs.4c12034.
Guljanov, Gaygysyz. 2024. “Estimation of DSGE models: Skewness matters.” Dissertation thesis, Universität Münster. doi: 10.17879/35918450119.
Engwer, Christian, Ohlberger, Mario, and Renelt, Lukas. 2024. “Model order reduction of an ultraweak and optimally stable variational formulation for parametrized reactive transport problems.” Preprint. SIAM Journal on Scientific Computing 46 (5): A3205–A3229. doi: 10.1137/23M1613402.
Klink, BU, Alavizargar, A, Kalyankumar, KS, Chen, M, Heuer, A, and Gatsogiannis, C. 2024. “Structural basis of α-latrotoxin transition to a cation-selective pore.” Nature Communications 15 (1): 8551–8551. doi: 10.1038/s41467-024-52635-5.
Schulte, L, Butz, M, Becker, M, Risse, B, and Schuck, C. 2024. “Accelerating Finite-Difference Frequency-Domain Simulations for Inverse Design Problems in Nanophotonics using Deep Learning.” Journal of the Optical Society of America B 41 (4): 1039–1046. doi: 10.1364/JOSAB.506159.
Helm, Bianca, Strotmann, Kyra, Böger, Thorben, Banik, Ananya, Lange, Martin Alexander, Li, Yuheng, Li, Cheng, Canepa, Pieremanuele, and Zeier, Wolfgang G. 2024. “Reducing the Defect Formation Energy by Aliovalent Sn(+IV) and Isovalent P(+V) Substitution in Li3SbS4 Promotes Li+ Transport.” ACS Applied Energy Materials 7 (5): 1735–1747. doi: 10.1021/acsaem.3c02652.
Busch, AS, Ljubicic, ML, Upners, EN, Fischer, MB, Odroniec, A, Hagen, CP, and Juul, A. 2024. “Polygenic Scores for Adult Testosterone and SHBG Levels Are Associated With Reproductive Hormone Levels in Male Infants.” Journal of Clinical Endocrinology and Metabolism 109 (5): 1–6. doi: 10.1210/clinem/dgae104.
Keil, Tim, and Ohlberger, Mario. 2024. “A Relaxed Localized Trust-Region Reduced Basis Approach for Optimization of Multiscale Problems.” Preprint. ESAIM: Mathematical Modelling and Numerical Analysis 58: 79–105. doi: 10.1051/m2an/2023089.
Kockwelp, Jacqueline, Thiele, Sebastian, Bartsch, Jannis, Haalck, Lars, Gromoll, Jörg, Schlatt, Stefan, Exeler, Rita, Bleckmann, Annalen, Lenz, Georg, Wolf, Sebastian, Steffen, Björn, Berdel, Wolfgang Eduard, Schliemann, Christoph, Risse, Benjamin, and Angenendt, Linus. 2024. “Deep learning predicts therapy-relevant genetics in acute myeloid leukemia from Pappenheim-stained bone marrow smears.” Blood Advances 8 (1): 70–79. doi: 10.1182/bloodadvances.2023011076.
Chaturvedi, M, Köster, D, Rübsamen, N, Jaeger, VK, Zapf, A, and Karch, A. 2024. “The impact of inaccurate assumptions about antibody test accuracy on the parametrisation and results of infectious disease models of epidemics.” Epidemics 46: 100741–100741. doi: 10.1016/j.epidem.2024.100741.
Wenzel, Tizian, Haasdonk, Bernard, Kleikamp, Hendrik, Ohlberger, Mario, and Schindler, Felix. 2024. “Application of Deep Kernel Models for Certified and Adaptive RB-ML-ROM Surrogate Modeling.” Preprint. in Large-Scale Scientific Computations, Vol. 13952 of Lecture Notes in Computer Science, edited by I. Lirkov and S. Margenov. Cham: Springer Nature. doi: 10.1007/978-3-031-56208-2_11.
Hölzer, K, Wolff, R, Hetzel, R, and Dunkl, I. 2024. “The long-lasting exhumation history of the Ötztal-Stubai Complex (Eastern European Alps): New constraints from zircon (U-Th)/He age-elevation profiles and thermo-kinematic modeling.” Lithosphere 2024: 1–20. doi: 10.2113/2024/lithosphere_2023_174.
Beckmann, Daniel, Kockwelp, Jacqueline, Gromoll, Joerg, Kiefer, Friedemann, and Risse, Benjamin. 2024. “SAM meets Gaze: Passive Eye Tracking for Prompt-based Instance Segmentation.” Proceedings of Machine Learning Research 2023.
Gebauer, Eike, Thiele, Sebastian, Ouvrard, Pierre, Sicard, Adrien, and Risse, Benjamin. 2024. “Towards a Dynamic Vision Sensor-based Insect Camera Trap.” contribution to the Winter Conference on Applications of Computer Vision 2024, Waikoloa, Hawaii
Hosseini, Henry, Utz, Christine, Degeling, Martin, and Hupperich, Thomas. 2024. “A Bilingual Longitudinal Analysis of Privacy Policies Measuring the Impacts of the GDPR and the CCPA/CPRA.” Proceedings on Privacy Enhancing Technologies 2024 (2): 434–463. doi: 10.56553/popets-2024-0058.
Wolff, R, Hölzer, K, Hetzel, R, Dunkl, I, and Anczkiewicz, AA. 2024. “Late-orogenic extension ceases with waning plate convergence: The case of the Simplon normal fault (Swiss Alps).” Journal of Structural Geology 179: 1–13. doi: 10.1016/j.jsg.2024.105049.
Bröker, Stephan, te Vrugt, Michael, Jeggle, Julian, Stenhammar, Joakim, and Wittkowski, Raphael. 2024. “Pair-distribution function of active Brownian spheres in three spatial dimensions: Simulation results and analytical representation.” Soft Matter 20: 224–244. doi: 10.1039/D3SM00987D.
Fritzsch, Patrick, Heitger, Jochen, Joswig, Fabian, and Kuhlmann, Justus T. 2024. “Towards charm physics with stabilised Wilson fermions.” Preprint. contribution to the 40th International Symposium on Lattice Field Theory (Lattice 2023), Fermilab, USA doi: 10.48550/arXiv.2401.05885.
Neuendorf, Jan, Heitger, Jochen, Egbring, Giulia, Höllwieser, Roman, Knechtli, Francesco, Korzec, Tomasz, and Urrea-Nino, Juan Andres. 2024. “Optimized Distillation Profiles for Heavy-Light Spectroscopy.” contribution to the 40th International Symposium on Lattice Field Theory (Lattice 2023), Fermilab, USA doi: 10.22323/1.453.0057.
Conigli, Alessandro, Frison, Julien, Fritzsch, Patrick, Gerardin, Antoine, Heitger, Jochen, Herdoiza, Gregorio, Kuberski, Simon, Pena, Carlos, Simma, Hubert, and Sommer, Rainer. 2024. “A strategy for B-physics observables in the continuum limit.” Preprint. contribution to the 40th International Symposium on Lattice Field Theory (Lattice 2023), Fermilab, USA doi: 10.48550/arXiv.2312.09811.
Conigli, Alessandro, Frison, Julien, Fritzsch, Patrick, Gerardin, Antoine, Heitger, Jochen, Herdoiza, Gregorio, Kuberski, Simon, Pena, Carlos, Simma, Hubert, and Sommer, Rainer. 2024. “m_b and f_B^(*) in 2 + 1 flavour QCD from a combination of continuum limit static and relativistic results.” Preprint. contribution to the 40th International Symposium on Lattice Field Theory (Lattice 2023), Fermilab, USA doi: 10.48550/arXiv.2312.10017.
Singh, A, Thale, S, Leibner, T, Lamparter, L, Ricker, A, Nüsse, H, Klingauf, J, Galic, M, Ohlberger, M, and Matis, M. 2024. “Dynamic interplay of microtubule and actomyosin forces drive tissue extension.” Nature Communications 15 (1): 3198–3198. doi: 10.1038/s41467-024-47596-8.
Tim, Keil, Mario, Ohlberger, Felix, Schindler, and Julia, Schleuß. 2024. “Local training and enrichment based on a residual localization strategy.” Preprint. in Proceedings of the Conference Algoritmy 2024, Vol. 8 of Proceedings of the Conference Algoritmy, edited by P Frolkovič, K Mikula and D Ševčovič. Bratislava: Jednota slovenských matematikov a fyzikov.
Pauls, Jan, Zimmer, Max, Kelly, Una M., Schwartz, Martin, Saatchi, Sassan, Ciais, Philippe, Pokutta, Sebastian, Brandt, Martin, and Gieseke, Fabian. in Kürze. “Estimating Canopy Height at Scale.” in Proceedings of the 41st International Conference on Machine Learning (ICML)
Eirich, Jürgen, Boyer, Jean-Baptiste, Armbruster, Laura, Ivanauskaite, Aiste, Torre La De, Carolina, Meinnel, Thierry, Wirtz, Markus, Mulo, Paula, Finkemeier, Iris, and Giglione, Carmela. 2024. “Light Changes Promote Distinct Responses of Plastid Protein Acetylation Marks.” Molecular and Cellular Proteomics 23 (11) 100845. doi: 10.1016/j.mcpro.2024.100845.
Brünje, Annika, Füßl, Magdalena, Eirich, Jürgen, Boyer, Jean-Baptiste, Heinkow, Paulina, Neumann, Ulla, Konert, Minna, Ivanauskaite, Aiste, Seidel, Julian, Ozawa, Shin-Ichiro, Sakamoto, Wataru, Meinnel, Thierry, Schwarzer, Dirk, Mulo, Paula, Giglione, Carmela, and Finkemeier, Iris. 2024. “The plastidial protein acetyltransferase GNAT1 forms a complex with GNAT2, yet their interaction is dispensable for state transitions.” Molecular and Cellular Proteomics 23 (11) 100850. doi: 10.1016/j.mcpro.2024.100850.
Koller, H., and Hunger, M. 2024. “Response of Hydrogen-Bonded Brnsted Acid Sites in ZSM-5 to Adsorption and H\/D Exchange of Hydrocarbons.” Journal of Physical Chemistry C 128 (22): 8974–8982. doi: 10.1021/acs.jpcc.4c01199.
Park, Y., Koller, H., Lew, C.M., Zones, S.I., and Davis, M.E. 2024. “Correlating Local Geometry to 11B NMR Chemical Shift of Tetrahedrally Coordinated Boron in Molecular Sieves.” Journal of Physical Chemistry C 128 (25): 10705–10713. doi: 10.1021/acs.jpcc.4c02361.
Kuberski, S., Joswig, F., Collins, S., Heitger, J., and Söldner, W. 2024. “D and D_s decay constants in N_f = 2 + 1 QCD with Wilson fermions.” Journal of High Energy Physics (JHEP) 07 90. doi: 10.1007/JHEP07(2024)090.
Bröker, Stephan, te Vrugt, Michael, and Wittkowski, Raphael. 2024. “Collective dynamics and pair-distribution function of active Brownian ellipsoids in two spatial dimensions.” Communications Physics 7 (1) 238. doi: 10.1038/s42005-024-01674-x.
Bröker, Stephan, te Vrugt, Michael, Jeggle, Julian, Stenhammar, Joakim, and Wittkowski, Raphael. 2024. “Pair-distribution function of active Brownian spheres in three spatial dimensions: simulation results and analytical representation.” Soft Matter 20 (1): 224–244. doi: 10.1039/D3SM00987D.
Chimirri, L., Fritzsch, P., Heitger, J., Joswig, F., Panero, M., Pena, C., and Preti, D. 2024. “Non-perturbative renormalisation and improvement of non-singlet tensor currents in N_f = 3 QCD.” Journal of High Energy Physics (JHEP) 07 089. doi: 10.1007/JHEP07(2024)089.
A., Conigli, Frison, J., Fritzsch, P., Gérardin, A., Heitger, J., Herdoiza, G., Kuberski, S., Pena, C., Simma, H., and Sommer, R. 2024. “B-physics observables in the continuum from a combination of static and relativistic results.” contribution to the EuroPLEx Final Conference, Berlin doi: 10.22323/1.451.0005.
Mitton-Fry, Rachel M., Eschenbach, Jannik, Schepers, Helena, Rasche, René, Erguven, Mehmet, Kümmel, Daniel, Rentmeister, Andrea, and Cornelissen, Nicolas V. 2024. “Chemo-enzymatic production of base-modified ATP analogues for polyadenylation of RNA.” Chemical science 15 (32): 13068–13073. doi: 10.1039/d4sc03769c.
Hellmann, Margareta J. 2024. “Influence of cell wall modifications by chitin deacetylases in Cryptococcus neoformans on the human immune response.” Dissertation thesis, Universität Münster. doi: 10.17879/35918626257.
2023
Hartmann, Philipp, Bohdan, Kostiantyn, Hommrich, Moritz, Juliá, Fabio, Vogelsang, Lara, Eirich, Jürgen, Zangl, Rene, Farès, Christophe, Jacobs, Beatrice Julia, Mukhopadhyay, Dwaipayan, Mengeler, Marie Johanna, Vetere, Alessandro, Sterling, Sophie Marie, Hinrichs, Heike, Becker, Stefan, Morgner, Nina, Schrader, Wolfgang, Finkemeier, Iris, Dietz, Karl-Josef, Griesinger, Christian, and Ritter, Tobias. 2023. “Chemoselective umpolung of thiols to episulfoniums for cysteine bioconjugation.” Nature Chemistry 2023. doi: 10.1038/s41557-023-01388-7.
Timmerkamp, M, Lüpken, NM, Abazi, SA, Bankwitz, JR, Schuck, C, and Fallnich, C. 2023. “Toward integrated tantalum pentoxide optical parametric oscillators.” Preprint. Optics Letters 48 (17): 4621–4624. doi: 10.1364/OL.496990.
Fiaschi, Juri, Fuks, Benjamin, Klasen, Michael, and Neuwirth, Alexander Puck. 2023. “Electroweak superpartner production at 13.6 Tev with Resummino.” The European Physical Journal C 83. doi: 10.1140/epjc/s10052-023-11888-y.
Ali, S, Bergner, G, López, C, Montvay, I, Münster, G, and Piemonte, S. 2023. “Baryonic states in N=1 supersymmetric SU(2) Yang-Mills theory on the lattice.” The European Physical Journal C 83 558. doi: 10.1140/epjc/s10052-023-11730-5.
De, Vleeschouwer David, Penman, DE, D'haenens, S, Wu, F, Westerhold, T, Vahlenkamp, M, Cappelli, C, Agnini, C, Kordesch, WEC, King, DJ, van, der Ploeg R, Pälike, H, Turner, SK, Wilson, P, Norris, RD, Zachos, JC, Bohaty, SM, and Hull, PM. 2023. “North Atlantic Drift Sediments Constrain Eocene Tidal Dissipation and the Evolution of the Earth‐Moon System.” Paleoceanography and Paleoclimatology 38 (2) e2022PA004555. doi: 10.1029/2022pa004555.
Kleine, Bardenhorst S, Cereda, E, Severgnini, M, Barichella, M, Pezzoli, G, Keshavarzian, A, Desideri, A, Pietrucci, D, Aho, VTE, Scheperjans, F, Hildebrand, F, Weis, S, Egert, M, Karch, A, Vital, M, and Rübsamen, N. 2023. “Gut microbiota dysbiosis in Parkinson's disease - a systematic review and pooled analysis.” European Journal of Neurology 30. doi: 10.1111/ene.15671.
Wolff, R, Hetzel, R, Hölzer, K, Dunkl, I, Xu, Qiang, Anczkiewicz, AA, and Li, Zhenyu. 2023. “Rift propagation in south Tibet controlled by underthrusting of India: A case study at the Tangra Yumco graben (south Tibet).” Journal of the Geological Society 1: 1–14. doi: 10.1144/jgs2022-090.
Butz, Marco, Abazi, Adrian S., Ross, Rene, Risse, Benjamin, and Schuck, Carsten. 2023. “Inverse Design of Nanophotonic Devices using Dynamic Binarization.” Optics Express 31 (10): 15747–15756. doi: 10.1364/OE.484484.
Ludwig, M, Moreno-Martinez, A, Hölzel, N, Pebesma, E, and Meyer, H. 2023. “Assessing and improving the transferability of current global spatial prediction models.” Global Ecology and Biogeography 00: 1–13. doi: 10.1111/geb.13635.
Ohlberger, M., Banholzer, S., Haasdonk, B., Keil, T.Kleikamp H., Mechelli, L., Oguntola, M, Schindler F., Volkwein, S., and Wenzel, T. 2023. “Model Reduction and Learning for PDE Constrained Optimization.” contribution to the Oberwolfach Workshop on Optimization Problems for PDEs in Weak Space-Time Form, Oberwolfach doi: 10.4171/OWR/2023/13.
Zhang, Jian; Hetzel, Ralf; Pan, Baotian; Geng, Haopeng; Wolff, Reinhard; Chen, Dianbao. 2023. “A 10Be-based paleo-erosion record for the Qilian Shan (NE Tibet) over the past 4.2 Ma from a drillcore in the Hexi Corridor.” Geomorphology 430: 1–10. doi: 10.1016/j.geomorph.2023.108657.
Tilak, P., Kotnik, F., Née, G., Seidel, J., Sindlinger, J., Heinkow, P., Eirich, J., Schwarzer, D., and Finkemeier, I. 2023. “Proteome-wide lysine acetylation profiling to investigate the involvement of histone deacetylase HDA5 in the salt stress response of Arabidopsis leaves.” The Plant journal 115 (1): 275–292. doi: 10.1111/tpj.16206.
Chen, Ya-Fan, Schroeder, Christian, Lew, Christopher M., Zones, Stacey I., Koller, Hubert, and Sierka, Marek. 2023. “Cooperativity of Silanol Defect Chemistry in Zeolites.” Physical Chemistry Chemical Physics 25: 478–485. doi: 10.1039/D2CP05218K.
Schroeder, Christian, Hansen, Michael Ryan, and Koller, Hubert. 2023. “Spatial Proximities Between Brønsted Acid Sites, AlOH Groups and Residual NH4+ Cations in Zeolites Mordenite and Ferrierite.” Journal of Physical Chemistry C 127: 736–745. doi: 10.1021/acs.jpcc.2c07346.
Koller, Hubert. 2023. “7.3 Zeolites for Ion Exchange, Adsorption and Catalysis.” in Applied Inorganic Chemistry, Vol. 2: From Energy Storage to Photofunctional Materials , edited by R. Pöttgen, T. Jüstel and C. Strassert. Berlin, Boston: De Gruyter. doi: 10.1515/9783110798890-018.
Bismarck, von Thekla, Korkmaz, Kübra, Ruß, Jeremy, Skurk, Kira, Kaiser, Elias, Galvis, Correa Viviana, Cruz, A.Jeffrey, Strand, D.Deserah, Köhl, Karin, Eirich, Jürgen, Finkemeier, Iris, Jahns, Peter, Kramer, M.David, and Armbruster, Ute. 2023. “Light acclimation interacts with thylakoid ion transport to govern the dynamics of photosynthesis in Arabidopsis.” New Phytologist 2022. doi: 10.1111/nph.18534.
Timmerkamp, Maximilian, and Fallnich, Carsten. 2023. “Efficient Intermodal Dispersive Wave Generation via Group Velocity Matching.” contribution to the Advanced Photonics Congress 2023, Busan doi: 10.1364/IPRSN.2023.JTu4A.9.
Wölfler, Andreas, Wolff, Reinhard, Hampel, Andrea, Hetzel, Ralf, and Dunkl, István. 2023. “Phases of enhanced exhumation during the Cretaceous and Cenozoic orogenies in the Eastern European Alps: new insights from thermochronological data and thermokinematic modeling.” Tectonics 42 e2022TC007698. doi: 10.1029/2022TC007698.
Butz, M, Leifhelm, A, Becker, M, Risse, B, and Schuck, C. 2023. “A Universal Approach to Nanophotonic Inverse Design through Reinforcement Learning.” in CLEO 2023, paper STh4G.3, edited by Optica Publishing Group San Jose: Optica. doi: 10.1364/CLEO_SI.2023.STh4G.3.
Lemli, David, Butz, Marco, and Schuck, Carsten. 2023. “Fabrication of Computer-Generated Nanophotonic Devices.” contributed to the DPG Springmeeting 2023, Hannover.
Butz, Marco, Leifhelm, Alexander, Becker, Marlon, Risse, Benjamin, and Schuck, Carsten. 2023. “A Novel Approach to Nanophotonic Black-Box Optimization Through Reinforcement Learning.” in Q 30 Nano-optics, edited by DPG Hannover: Deutsche Physikalische Gesellschaft.
Haalck, Lars, Thiele, Sebastian, and Risse, Benjamin. 2023. “Tracking Tiny Insects in Cluttered Natural Environments using Refinable Recurrent Neural Networks.” contribution to the IEEE/CVF Winter Conference on Applications of Computer Vision (WACV), Waikoloa, Hawaii doi: 10.1109/WACV57701.2024.00697.
Czuppon, Peter, Day, Troy, Débarre, Florence, and Blanquart, François. 2023. “A stochastic analysis of the interplay between antibiotic dose, mode of action, and bacterial competition in the evolution of antibiotic resistance.” PLoS Computational Biology 19. doi: 10.1371/journal.pcbi.1011364.
Länger, Marie Zoe, Baur, Moritz, Korša, Ana, Eirich, Jürgen, Lindeza, Sofia Ana, Zanchi, Caroline, Finkemeier, Iris, and Kurtz, Joachim. 2023. “Differential proteome profiling of bacterial culture supernatants reveals candidates for the induction of oral immune priming in the red flour beetle.” Biology Letters 19 (11). doi: 10.1098/rsbl.2023.0322.
Rüttermann M.; Koci M.; Lill P.; Geladas E.D.; Kaschani F.; Klink B.U.; Erdmann R.; Gatsogiannis C.. 2023. “Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate.” Nature Communications 14 (1). doi: 10.1038/s41467-023-41640-9.
Becker, Marlon, Drees, Dominik, Brückerhoff-Plückelmann, Frank, Schuck, Carsten, Pernice, Wolfram, and Risse, Benjamin. 2023. “Activation Functions in Non-Negative Neural Networks.” contributed to the Machine Learning and the Physical Sciences Workshop, NeurIPS, New Orleans.
Hagedorn, Thomas, Kösters, Till, Specht, Sebastian, and Wessel, Jan. 2023. “No Need for Speed: Fuel Prices, Driving Speeds, and the Revealed Value of Time on the German Autobahn.” Institute of Transport Economics Münster — Working Paper № 39. Münster.
Böger, Thorben, Bernges, Tim, Li, Yuheng, Canepa, Pieremanuele, and Zeier, Wolfgang G. 2023. “Thermal Conductivities of Lithium-Ion-Conducting Solid Electrolytes.” ACS Applied Energy Materials 6 (20): 10704–10712. doi: 10.1021/acsaem.3c01977.
Nielsen, EB, Katurji, M, Zawar-Reza, P, and Meyer, H. 2023. “Antarctic daily mesoscale air temperature dataset derived from MODIS land and ice surface temperature.” Scientific data 10 (1): 833–833. doi: 10.1038/s41597-023-02720-z.
Bröker, Stephan, Bickmann, Jens, te Vrugt, Michael, Cates, Michael E., and Wittkowski, Raphael. 2023. “Orientation-dependent propulsion of active Brownian spheres: from self-advection to programmable cluster shapes.” Physical Review Letters 131 (16) 168203. doi: 10.1103/PhysRevLett.131.168203.
Bickmann, Jens, Bröker, Stephan, te Vrugt, Michael, and Wittkowski, Raphael. 2023. “Active Brownian particles in external force fields: field-theoretical models, generalized barometric law, and programmable density patterns.” Physical Review E 108 (4) 044601. doi: 10.1103/PhysRevE.108.044601.
Deng, Yong, Paskert, Adrian, Zhang, Zhiyuan, Wittkowski, Raphael, and Ahmed, Daniel. 2023. “An acoustically controlled helical microrobot.” Science advances 9 (38) eadh526. doi: 10.1126/sciadv.adh5260.
Voß, Johannes, and Wittkowski, Raphael. 2023. “Dependence of the acoustic propulsion of nano- and microcones on their orientation and aspect ratio.” Scientific Reports 13 12858. doi: 10.1038/s41598-023-39231-1.
Evers, Marina, and Wittkowski, Raphael. 2023. “An active colloidal system showing parallels to a time crystal.” Physica Scripta 98 (12) 125240. doi: 10.1088/1402-4896/ad05ab.
Becker, Marlon, Riegelmeyer, Jan, Seyfried, Maximilian David, Ravoo, Bart Jan, Schuck, Carsten, and Risse, Benjamin. 2023. “Adaptive Photochemical Nonlinearities for Optical Neural Networks.” Advanced Intelligent Systems 5 (12). doi: 10.1002/aisy.202300229.
Hoffknecht, Jan-Philipp, Wettstein, Alina, Atik, Jaschar, Krause, Christian, Thienenkamp, Johannes, Brunklaus, Gunther, Winter, Martin, Diddens, Diddo, Heuer, Andreas, and Paillard, Elie. 2023. “Coordinating Anions ‘to the Rescue’ of the Lithium Ion Mobility in Ternary Solid Polymer Electrolytes Plasticized With Ionic Liquids.” Advanced Energy Materials 13 (1) 2202789. doi: 10.1002/aenm.202202789.
Keil, Tim, and Rave, Stephan. 2023. “An Online Efficient Two-Scale Reduced Basis Approach for the Localized Orthogonal Decomposition.” SIAM Journal on Scientific Computing 45 (4). doi: 10.1137/21M1460016.
Landstorfer, M, Ohlberger, M, Rave, S, and Tacke, M. 2023. “A Modeling Framework for Efficient Reduced Order Simulations of Parametrized Lithium-Ion Battery Cells.” European Journal of Applied Mathematics 34 (3): 554–591. doi: 10.1017/S0956792522000353.
2022
Sinha, Neha, Eirich, Jürgen, Finkemeier, Iris, and Grimm, Bernhard. 2022. “Glutamate 1-semialdehyde aminotransferase is connected to GluTR by GluTR-binding protein and contributes to the rate-limiting step of 5-aminolevulinic acid synthesis.” The Plant cell 34. doi: 10.1093/plcell/koac237.
Weyer, Rita, Hellmann, Margareta J., Hamer-Timmermann, Stefanie N., Singh, Ratna, and Moerschbacher, Bruno M. 2022. “Customized chitooligosaccharide production - controlling their length via engineering of rhizobial chitin synthases and the choice of expression system.” Frontiers in Bioengineering and Biotechnology 10. doi: 10.3389/fbioe.2022.1073447.
Bergner, G, Münster, G, and Piemonte, S. 2022. “Exploring gauge theories with adjoint matter on the lattice.” universe 8: 617. doi: 10.3390/universe8120617.
Fischer, Mirko, Heuer, Andreas, and Diddens, Diddo. 2022. “Structure and Transport Properties of Poly(ethylene oxide)-Based Cross-Linked Polymer Electrolytes─A Molecular Dynamics Simulations Study.” Macromolecules 55 (22): 10229–10242. doi: 10.1021/acs.macromol.2c01795.
Timmerkamp, Maximilian, Lüpken, Niklas M., Abazi, Shiqiprim Adrian, Bankwitz, Julian Rasmus, Schuck, Carsten, and Fallnich, Carsten. 2022. “Synchronously Pumped Tantalum Pentoxide Waveguide-based Optical Parametric Oscillator.” in Proceedings of 10th EPS-QEOD Europhoton Conference on Solid-State, Fibre, and Waveguide Coherent Light Sources (EUROPHOTON 2022), edited by P Helfenstein. Les Ulis: EDP Sciences. doi: 10.1051/epjconf/202226702024.
Linnenbrügger, L; Doering, L; Lansing, H; Fischer, K; Eirich, J; Finkemeier, I; von Schaewen, A. 2022. “Alternative splicing of Arabidopsis G6PD5 recruits NADPH-producing OPPP reactions to the endoplasmic reticulum.” Frontiers in Plant Science 13 909624. doi: 10.3389/fpls.2022.909624.
Nyenhuis, M, Schönrath, I, Kamzeeva, PN, Zatsepin, TS, Müller, J, Doltsinis, N, and Aralov, AV. 2022. “Benzothiazole-substituted 1,3‑diaza‑2‑oxophenoxazine as a luminescent nucleobase surrogate for silver(I)-mediated base pairing.” Dalton Transactions 51: 13386–13395. doi: 10.1039/d2dt01762h.
Danzer, Moritz Fabian, Feld, Jannik, Faldum, Andreas, and Schmidt, Rene. 2022. “Reference curve sampling variability in one–sample log–rank tests.” PloS one 17 (7) e0271094. doi: 10.1371/journal.pone.0271094.
Danzer, Moritz Fabian, Faldum, Andreas, and Rene, Schmidt. 2022. “On Variance Estimation for the One-Sample Log-Rank Test.” Statistics in Biopharmaceutical Research 2022. doi: 10.1080/19466315.2022.2081600.
Fiaschi, J, Fuks, B, Klasen, M, and Neuwirth, A. 2022. “Soft gluon resummation for associated squark-electroweakino production at the LHC.” Journal of High Energy Physics (JHEP) 06: 130–130. doi: 10.1007/JHEP06(2022)130.
Maisuls, I., Boisten, F., Hebenbrock, M., Alfke, J., Schürmann, L., Jasper-Peter, B., Hepp, A., Esselen, M., Müller, J., and Strassert, C.A. 2022. “Monoanionic C^N^N Luminophores and Monodentate C-Donor Co-Ligands for Phosphorescent Pt(II) Complexes: A Case Study Involving Their Photophysics and Cytotoxicity.” Inorganic Chemistry 61 (24): 9195–9204. doi: 10.1021/acs.inorgchem.2c00753.
Dr., Julia Sindlinger, Stefan, Schön, Dr., Jürgen Eirich, Dr., Sören Kirchgäßner, Prof. Dr., Iris Finkemeier, and Prof. Dr., Dirk Schwarzer. 2022. “Investigating Peptide‐Coenzyme A Conjugates as Chemical Probes for Proteomic Profiling of N‐Terminal and Lysine Acetyltransferases.” ChemBioChem 23. doi: 10.1002/cbic.202200255.
Leibner Tobias. 2022. “Model reduction for kinetic equations: moment approximations and hierarchical approximate proper orthogonal decomposition.” Dissertation thesis, Universität Münster.
Kleine, Bardenhorst S, Vital, M, Karch, A, and Rübsamen, N. 2022. “Richness estimation in microbiome data obtained from denoising pipelines.” Computational and Structural Biotechnology Journal 20: 508–520. doi: 10.1016/j.csbj.2021.12.036.
Bohl, Martin T., Branger, Nicole, and Trede, Mark. 2022. “Measurement Errors in Index Trader Positions Data: Is the Price Pressure Hypothesis Still Invalid?” Applied Economic Perspectives and Policy 44 (3): 1534–1553. doi: 10.1002/aepp.13186.
Strieth-Kalthoff, Felix, Sandfort, Frederik, Kühnemund, Marius, Schäfer, Felix R., Kuchen, Herbert, and Glorius, Frank. 2022. “Machine Learning for Chemical Reactivity: The Importance of Failed Experiments.” Angewandte Chemie International Edition 61 (29) e202204647. doi: 10.1002/anie.202204647.
Singh, A, Thale, S, Leibner, T, Ricker, A, Nüsse, H, Klingauf, J, Ohlberger, M, and Matis, M. 2022. “Dynamic interplay of protrusive microtubule and contractile actomyosin forces drives tissue extension.” eLife 2022. doi: 10.1101/2022.06.21.496930.
Kirchhoff, Alexander; Deilmann, Thorsten; Krüger, Peter; Rohlfing, Michael. 2022. “Electronic and optical properties of a hexagonal boron nitride monolayer in its pristine form and with point defects from first principles.” Physical Review B 2022/106. doi: 10.1103/PhysRevB.106.045118.
Czuppon, Peter, and Billiard, Sylvain. 2022. “Revisiting the number of self-incompatibility alleles in finite populations: From old models to new results.” Journal of Evolutionary Biology 35 (10): 1296–1308. doi: 10.1111/jeb.14061.
Voß, Johannes, and Wittkowski, Raphael. 2022. “Orientation-dependent propulsion of triangular nano- and microparticles by a traveling ultrasound wave.” ACS Nano 16 (3): 3604–3612. doi: 10.1021/acsnano.1c02302.
Voß, Johannes, and Wittkowski, Raphael. 2022. “Propulsion of bullet- and cup-shaped nano- and microparticles by traveling ultrasound waves.” Physics of Fluids 34 (5) 052007. doi: 10.1063/5.0089367.
Bickmann, Jens, Bröker, Stephan, Jeggle, Julian, and Wittkowski, Raphael. 2022. “Analytical approach to chiral active systems: suppressed phase separation of interacting Brownian circle swimmers.” Journal of Chemical Physics 156 (19) 194904. doi: 10.1063/5.0085122.
Nitschke, Tobias, Stenhammar, Joakim, and Wittkowski, Raphael. 2022. “Collective guiding of acoustically propelled nano- and microparticles.” Nanoscale Advances 4 (13): 2844–2856. doi: 10.1039/D2NA00007E.
Voß, Johannes, and Wittkowski, Raphael. 2022. “Acoustic propulsion of nano- and microcones: dependence on the viscosity of the surrounding fluid.” Langmuir 38 (35): 10736–10748. doi: 10.1021/acs.langmuir.2c00603.
te Vrugt, M, Holl, MP, Koch, A, Wittkowski, R, and Thiele, U. 2022. “Derivation and analysis of a phase field crystal model for a mixture of active and passive particles.” Modelling and Simulation in Materials Science and Engineering 30 (8) 084001. doi: 10.1088/1361-651X/ac856a.
Krawitz, J, Schukajlow, S, Kanefke, J, and Rakoczy, K. 2022. “Making realistic assumption in mathematical modelling.” in Proceedings of the 45th Conference of the International Group for the Psychology of Mathematics Education, edited by Llinares et al. Fernandez. Spain: PME.
Evers, Marina, Wittkowski, Raphael, and Linsen, Lars. 2022. “ASEVis: Visual Exploration of Active System Ensembles to Define Characteristic Measures.” in 2022 IEEE Visualization and Visual Analytics (VIS), edited by - Oklahoma City: Wiley-IEEE Press. doi: 10.1109/VIS54862.2022.00039.
Klink, BU, Herrmann, E, Antoni, C, Langemeyer, L, Kiontke, S, Gatsogiannis, C, Ungermann, C, Raunser, S, and Kümmel, D. 2022. “Structure of the Mon1-Ccz1 complex reveals molecular basis of membrane binding for Rab7 activation.” Proceedings of the National Academy of Sciences of the United States of America 119 (6). doi: 10.1073/pnas.2121494119.
Boyle, Peter, Heitger, Jochen, and al., et. 2022. “A lattice QCD perspective on weak decays of bb and cc quarks Snowmass 2022 White Paper.” Preprint. contribution to the 2022 Snowmass Summer Study, Washington U., Seattle, Seattle, WA, United States
Petrak, Pia, Bali, Gunnar, Collins, Sara, Heitger, Jochen, and Jenkins, Daniel Weißhäupl Simon. 2022. “Sigma terms of the baryon octet in N_f=2+1 QCD with Wilson quarks.” Preprint. contribution to the 39th International Symposium on Lattice Field Theory (Lattice 2022), Bonn, Germany doi: 10.48550/arXiv.2301.03871.
Neuendorf, Jan, Heitger, Jochen, José, Teseo San, and Blossier, Benoît. 2022. “Direct access to hadronic decay parameters with twisted boundary conditions.” contribution to the 39th International Symposium on Lattice Field Theory (Lattice 2022), Bonn, Germany doi: 10.48550/arXiv.2212.11206.
Schroeder, Christian, Lew, Christopher M., Zones, Stacey I., and Koller, Hubert. 2022. “Ordered Heteroatom Siting Preserved By B/Al Exchange in Zeolites.” Chemistry of Materials 34: 3479–3488. doi: 10.1021/acs.chemmater.2c00359.
Magdalena, Füßl, Ann-Christine, König, Jürgen, Eirich, Markus, Hartl, Laura, Kleinknecht, Alexandra-Viola, Bohne, Anne, Harzen, Katharina, Kramer, Dario, Leister, Jörg, Nickelsen, and Iris, Finkemeier. 2022. “Dynamic light‐ and acetate‐dependent regulation of the proteome and lysine acetylome of Chlamydomonas.” The Plant journal 109 (1): 261–277. doi: 10.1111/tpj.15555.
Neusius, D., Kleinknecht, L., Teh, J.T., Ostermeier, M., Kelterborn, S., Eirich, J., Hegemann, P., Finkemeier, I., Bohne, A.V., and Nickelsen, J. 2022. “Lysine acetylation regulates moonlighting activity of the E2 subunit of the chloroplast pyruvate dehydrogenase complex in Chlamydomonas.” The Plant journal 111 (6): 1780–1800. doi: 10.1111/tpj.15924.
Bernges, Tim, Böger, Thorben, Maus, Oliver, Till, Paul S., Agne, Matthias T., and Zeier, Wolfgang G. 2022. “Scaling Relations for Ionic and Thermal Transport in the Na+ Ionic Conductor Na3PS4.” ACS Materials Letters 4 (12): 2491–2498. doi: 10.1021/acsmaterialslett.2c00846.
Wettstein, Alina, Diddens, Diddo, and Heuer, Andreas. 2022. “Controlling Li+ transport in ionic liquid electrolytes through salt content and anion asymmetry: a mechanistic understanding gained from molecular dynamics simulations.” Physical Chemistry Chemical Physics 24 (10): 6072–6086. doi: 10.1039/d1cp04830a.
Banholzer, S, Keil, T, Mechelli, L, Ohlberger, M, Schindler, F, and Volkwein, S. 2022. “An adaptive projected Newton non-conforming dual approach for trust-region reduced basis approximation of PDE-constrained parameter optimization.” Pure and Applied Functional Analysis 7 (5): 1561–1596.
Wolff, R, Hölzer, K, Hetzel, R, Xu, Q, Dunkl, I.Anczkiewicz AA, and Li, Z. 2022. “Spatially focused erosion in the High Himalaya and the geometry of the Main Himalayan Thrust in Central Nepal (85°E) from thermo-kinematic modeling of thermochronological data in the Gyirong region (southern China).” Tectonophysics 834: 229378. doi: 10.1016/j.tecto.2022.229378.
Mila, C, Mateu, J, Pebesma, E, and Meyer, H. 2022. “Nearest neighbour distance matching leave-one-out cross-validation for map validation.” Methods in Ecology and Evolution 13: 1304–1316. doi: 10.1111/2041-210X.13851.
Blossier, B., Cahue, P.-H., Heitger, J., La Cesa, S., Neuendorf, J., and Zafeiropoulos, S. 2022. “On the extraction of B_s to D^(*)_s form factors from N_f=2 lattice QCD.” Physical Review D (PRD) 105 (5): 054515. doi: 10.1103/PhysRevD.105.054515.
Raghuraman, S, Schubert, AS, Bröker, S, Jurado, A, Müller, A, Brandt, M, Vos, BE, Hofemeier, AD, Abbasi, F, Stehling, M, Wittkowski, R, Ivaska, J, and Betz, T. 2022. “Pressure drives rapid burst-like coordinated cellular motion from 3D cancer aggregates.” Advanced Science 9 (6): 2104808.. doi: 10.1002/advs.202104808.
Balparda, M, Elsässer, M, Badia, MB, Giese, J, Bovdilova, A, Hüdig, M, Reinmuth, L, Eirich, J, Schwarzländer, M, Finkemeier, I, Schallenberg-Rüdinger, M, and Maurino, VG. 2022. “Acetylation of conserved lysines fine-tunes mitochondrial malate dehydrogenase activity in land plants.” The Plant journal 109 (1): 92–111. doi: 10.1111/tpj.15556.
Voß, J, and Wittkowski, R. 2022. “Acoustically propelled nano- and microcones: fast forward and backward motion.” Nanoscale Advances 4 (1): 281–293. doi: 10.1039/D1NA00655J.
Schroeder C, Zones, SI, Hansen, and MR, Koller H. 2022. “Hydrogen Bonds Dominate Brønsted Acid Sites in Zeolite SSZ-42 – A Classification of Their Diversity.” Angewandte Chemie International Edition 61 e202109313. doi: 10.1002/anie.202109313.
2021
Bonin, M, Hameleers, L, Hembach, L, Roret, T, Cord-Landwehr, S, Michel, G, and Moerschbacher, B. 2021. “In silico and in vitro analysis of an Aspergillus niger chitin deacetylase to decipher its subsite sugar preferences.” Journal of Biological Chemistry 297 (4): 101129.. doi: 10.1016/j.jbc.2021.101129.
Timmerkamp, M, Lüpken, NM, Scheibinger, R, Schaarschmidt, K, Schmidt, MA, Boller, K-J, and Fallnich, C. 2021. “Frequency Conversion by Intermodal Dispersive Wave Generation.” contribution to the Advanced Photonics Congress, Washington, DC, United States
Danzer, MF, Terzer, T, Berthold, F, Faldum, A, and Schmidt, R. 2021. “Confirmatory adaptive group sequential designs for single-arm phase II studies with multiple time-to-event endpoints.” Biometrical Journal 2021. doi: 10.1002/bimj.202000205.
Timmerkamp, M, Lüpken, NM, Scheibinger, R, Schaarschmidt, K, Schmidt, MA, Boller, K-J, and Fallnich, C. 2021. “Generation of Dispersive Waves via Intermodal Cross-phase Modulation.” contribution to the CLEO/Europe-EQEC, Munich, Germany doi: 10.1109/CLEO/Europe-EQEC52157.2021.9541887.
Timmerkamp, M, Lüpken, NM, Scheibinger, R, Schaarschmidt, K, Schmidt, MA, Boller, K-J, and Fallnich, C. 2021. “Dispersive Wave Generation via Intermodal Cross-phase Modulation.” contribution to the Conference on Lasers and Electro-Optics, San Jose, USA doi: 10.1364/CLEO_AT.2021.JW1A.13.
Menezes, Breno, Herrmann, Nina, Kuchen, Herbert, and Neto, Fernando Buarque de Lima. 2021. “High-Level Parallel Ant Colony Optimization with Algorithmic Skeletons.” International Journal of Parallel Programming 49: 776–801. doi: 10.1007/s10766-021-00714-1.
Liu, L., Klaasen, H., Witteler, M.C., Schulze Lammers, B., Timmer, A., Kong, H., Mönig, H., Gao, H.-Y., Neugebauer, J., Fuchs, H., and Studer, A. 2021. “Polymerization of Silanes through Dehydrogenative Si–Si Bond Formation on Metal Surfaces.” Nature Chemistry 13: 350–357. doi: 10.1038/s41557-021-00651-z.
Biehl, JL, Paas, B, and Klemm, O. 2021. “Ventilation of a Mid-Size City under Stable Boundary Layer Conditions: A Simulation Using the LES Model PALM.” Atmosphere 12 (401). doi: 10.3390/atmos12030401.
Rugen, N., Schaarschmidt, F., Eirich, J., Finkemeier, I., Braun, H.P., and Eubel, H. 2021. “Protein interaction patterns in Arabidopsis thaliana leaf mitochondria change in dependence to light.” BBA - Bioenergetics 1862 (8). doi: 10.1016/j.bbabio.2021.148443.
Rose, J., Müller, B., Groscurth, S., Giese, J., Eirich, J., Finkemeier, I., Twyman, R.M., Prüfer, D., and Noll, G.A. 2021. “The functionality of plant mechanoproteins (forisomes) is dependent on the dual role of conserved cysteine residues.” International Journal of Biological Macromolecules 193: 1332–1339. doi: 10.1016/j.ijbiomac.2021.10.192.
Bastian, P, Blatt, M, Dedner, A, Dreier, N, Engwer, C, Fritze, R, Gräser, C, Kempf, D, Klöfkorn, R, Ohlberger, M, and Sander, O. 2021. “The DUNE Framework: Basic Concepts and Recent Developments.” Computers & Mathematics with Applications 81: 75–112. doi: 10.1016/j.camwa.2020.06.007.
de Lacerda, MG, de Araujo, Pessoa L F, Buarque, de Lima Neto F, Ludermir, TB, and Kuchen, H. 2021. “A Systematic Literature Review on General Parameter Control for Evolutionary and Swarm-based Algorithms.” in Swarm and Evolutionary Computation, edited by S Das, PN Suganthan and M Ali. doi: 10.1016/j.swevo.2020.100777.
Lüpken, NM, Timmerkamp, M, Scheibinger, R, Schaarschmidt, K, Schmidt, MA, Boller, K-J, and Fallnich, C. 2021. “Numerical and experimental demonstration of intermodal dispersive wave generation.” Laser and Photonics Reviews 19 (5). doi: 10.1002/lpor.202100125.
te, Vrugt Michael, Bickmann, Jens, and Wittkowski, Raphael. 2021. “Containing a pandemic: nonpharmaceutical interventions and the 'second wave'.” Journal of Physics Communications 5 (5): 055008.. doi: 10.1088/2399-6528/abf79f.
Meyer, H, and Pebesma, E. 2021. “Predicting into unknown space? Estimating the area of applicability of spatial prediction models.” Methods in Ecology and Evolution 12: 1620–1633. doi: 10.1111/2041-210X.13650.
Borisenko, Andrey, and Gorlatch, Sergei. 2021. “Efficient GPU-parallelization of batch plants design using metaheuristics with parameter tuning.” Journal of Parallel and Distributed Computing 154: 74–81. doi: 10.1016/j.jpdc.2021.03.012.
Uflewski, M, Mielke, S, Corre, GV, vo, BT, Chen, X, Tietz, E, Ruß, J, Luzarowski, M, Sokolowska, E, Skirycz, A, Eirich, J, Finkemeier, I, Schöttler, MA, and Armbruster, U. 2021. “Functional characterization of protonantiport regulation in the thylakoid membrane.” Plant Physiology 187. doi: 10.1093/plphys/kiab135.
Dreier Nils-Arne. 2021. “Hardware-Oriented Krylov Methods for High-Performance Computing.” Dissertation thesis, WWU Münster. doi: 10.48550/arXiv.2104.02494.
Henzler, P, Traum, C, Holtkemper, M, Nabben, D, Erbe, M, Reiter, DE, Kuhn, T, Mahapatra, S, Brunner, K, Seletskiy, DV, and Leitenstorfer, A. 2021. “Femtosecond Transfer and Manipulation of Persistent Hot-Trion Coherence in a Single CdSe/ZnSe Quantum Dot.” Phys. Rev. Lett. 126: 067402.. doi: 10.1103/PhysRevLett.126.067402.
Holtkemper, M, Quinteiro, GF, Reiter, DE, and Kuhn, T. 2021. “Dark exciton preparation in a quantum dot by a longitudinal light field tuned to higher exciton states.” Physical Review Research 3: 013024. doi: 10.1103/PhysRevResearch.3.013024.
Rasch, Ari, Schulze, Richard, Steuwer, Michel, and Gorlatch, Sergei. 2021. “Efficient Auto-Tuning of Parallel Programs with Interdependent Tuning Parameters via Auto-Tuning Framework (ATF).” Transactions on Architecture and Code Optimization 18 (1): 1–26. doi: 10.1145/3427093.
Maas, C., Manske, L., Wünnemann, K., and Hansen, U. 2021. “On the fate of impact-delivered metal in a terrestrial magma ocean.” Earth and Planetary Science Letters 554. doi: 10.1016/j.epsl.2020.116680.
Mariscal, CJL, Classen, L, Elorrieta, MAU, and Kappes, A. 2021. “Sensitivity of multi-PMT optical modules in Antarctic ice to supernova neutrinos of MeV energy.” Eur. Phys. J. C 81 (12): 1058.. doi: 10.1140/epjc/s10052-021-09809-y.
Heitger, J., and Joswig, F. 2021. “The renormalised O(a) improved vector current in three-flavour lattice QCD with Wilson quarks.” The European Physical Journal C 81 (3): 254.. doi: 10.1140/epjc/s10052-021-09037-4.
Heitger, J., Joswig, F., and Kuberski, S. 2021. “Determination of the charm quark mass in lattice QCD with 2+1 flavours on fine lattices.” Journal of High Energy Physics (JHEP) 05: 288.. doi: 10.1007/JHEP05(2021)288.
Heitger, J., Joswig, F., Petrak, P.L.J., and Vladikas, A. 2021. “Ratio of flavour non-singlet and singlet scalar density renormalisation parameters in N_f=3 QCD with Wilson quarks.” The European Physical Journal C 81 (7): 606.. doi: 10.1140/epjc/s10052-021-09387-z.
Cali, S., Eckert, K., Heitger, J., Knechtli, F., and Korzec, T. 2021. “Charm sea effects on charmonium decay constants and heavy meson masses.” The European Physical Journal C 81 (8): 733.. doi: 10.1140/epjc/s10052-021-09520-y.
Gérardin, A., Heitger, J., Kuberski, S., Simma, H., and Sommer, R. 2021. “Precision $B^*Bπ$ coupling from three-flavor lattice QCD.” in Proceedings of the 38th International Symposium on Lattice Field Theory, PoS SISSA. doi: 10.48550/arXiv.2111.04693.
Blossier, B., Cahue, P.-H., Heitger, J., La Cesa, S., Neuendorf, J., and Zafeiropoulos, S. 2021. “B_s to D^(*)_s form factors from lattice QCD with N_f=2 Wilson-clover quarks.” in Proceedings of the 38th International Symposium on Lattice Field Theory, PoS SISSA. doi: 10.48550/arXiv.2111.05733.
Petrak, P.L.J., Bali, G., Collins, S., Heitger, J., Jenkins, D., Weishäupl, S., and Wurm, T. 2021. “Towards the determination of sigma terms for the baryon octet on N_f=2+1 CLS ensembles.” in Proceedings of the 38th International Symposium on Lattice Field Theory, PoS SISSA. doi: 10.48550/arXiv.2112.00586.
Lengers, F, Kuhn, T, and Reiter, DE. 2021. “Phonon signatures in spectra of exciton polaritons in transition metal dichalcogenides.” Physical Review B 104: L241301.. doi: 10.1103/PhysRevB.104.L241301.
Jürgens, K., Lengers, F., Groll, D., Reiter, D.E., Wigger, D., and Kuhn, T. 2021. “Comparison of the semiclassical and quantum optical field dynamics in a pulse-excited optical cavity with a finite number of quantum emitters.” Physical Review B 104: 205308.. doi: 10.1103/PhysRevB.104.205308.
te, Vrugt M, Tóth, GI, and Wittkowski, R. 2021. “Master equations for Wigner functions with spontaneous collapse and their relation to thermodynamic irreversibility.” Journal of Computational Electronics 20 (6): 2209–2231. doi: 10.1007/s10825-021-01804-6.
Siebel, C, Lanvers-Kaminsky, C, Alten, J, Smisek, P, Nath, CE, Rizzari, C, Boos, J, and Würthwein, G. 2021. “Impact of Antibodies Against Polyethylene Glycol on the Pharmacokinetics of PEGylated Asparaginase in Children with Acute Lymphoblastic Leukaemia: A Population Pharmacokinetic Approach.” European Journal of Drug Metabolism and Pharmacokinetics 2021. doi: 10.1007/s13318-021-00741-w.
Eschmann, L, Neuendorf, J, and Rohlfing, M. 2021. “Graphene and NTCDA adsorbed on Ag(111): Temperature-dependent binding distance and phonon coupling to the interface state.” Phys. Rev. B 104: 245403.. doi: 10.1103/PhysRevB.104.245403.
Eschmann, L, Neuendorf, J, and Rohlfing, M. 2021. “Impact of electron-phonon interaction on metal-organic interface states.” Phys. Rev. B 104: L241102.. doi: 10.1103/PhysRevB.104.L241102.
Toelle, J, Deilmann, T, Rohlfing, M, and Neugebauer, J. 2021. “Subsystem-Based GW/Bethe-Salpeter Equation.” Journal of Chemical Theory and Computation 17 (4): 2186–2199. doi: 10.1021/acs.jctc.0c01307.
Hessenbuettel, M, Deilmann, T, Krueger, P, and Rohlfing, M. 2021. “Valley-Dependent Interlayer Excitons in Magnetic WSe2/CrI3.” Nano Letters 21 (12): 5173–5178. doi: 10.1021/acs.nanolett.1c01232.
Osthues, H, Schwermann, C, Preuss, JA, Deilmann, T, Bratschitsch, R, Rohlfing, M, and Doltsinis, NL. 2021. “Covalent photofunctionalization and electronic repair of 2H-MoS(2)via nitrogen incorporation.” Physical Chemistry Chemical Physics 23 (34): 18517–18524. doi: 10.1039/d1cp02313f.
Lettmann, T, and Rohlfing, M. 2021. “Finite-momentum excitons in rubrene single crystals.” Physical Review B 104 (11). doi: 10.1103/PhysRevB.104.115427.
Ali, S, Bergner, G, López, C, Montvay, I, Münster, G, and Piemonte, S. 2021. “Estimates for the lightest baryon masses in N=1 supersymmetric Yang-Mills theory.” in Proceedings of the 38th International Symposium on Lattice Field Theory (Lattice 2021), Vol. PoS(LATTICE2021) of Proceedings of Science Proceedings of Science.
Biedermann, M, Diddens, D, and Heuer, A. 2021. “rs@ md: Introducing Reactive Steps at the Molecular Dynamics Simulation Level.” Journal of Chemical Theory and Computation 17 (2): 1074–1085. doi: 10.1021/acs.jctc.0c01189.
Wettstein, A, Diddens, D, and Heuer, A. 2021. “Polymer electrolytes in strong external electric fields: Modification of structure and dynamics.” Macromolecules 54 (5): 2256–2265. doi: 10.1021/acs.macromol.0c02385.
Wölke, Christian, Diddens, Diddo, Heidrich, Bastian, Winter, Martin, and Cekic-Laskovic, Isidora. 2021. “Understanding the Effectiveness of Phospholane Electrolyte Additives in Lithium-Ion Batteries under High-Voltage Conditions.” ChemElectroChem 8 (5): 972–982. doi: 10.1002/celc.202100107.
Otero-Mato, JM, Rivera-Pousa, A, Montes-Campos, H, Cabeza, O, Heuer, A, Diddens, D, and Varela, LM. 2021. “Computational study of the structure of ternary ionic liquid/salt/polymer electrolytes based on protic ionic liquids.” Journal of Molecular Liquids 333: 115883.. doi: 10.1016/j.molliq.2021.115883.
Perner, V, Diddens, D, Otteny, F, Küpers, V, Bieker, P, Esser, B, Winter, M, and Kolek, M. 2021. “Insights into the Solubility of Poly (vinylphenothiazine) in Carbonate-Based Battery Electrolytes.” ACS applied materials & interfaces 13 (10): 12442–12453. doi: 10.1021/acsami.0c20012.
Atik, J, Diddens, D, Thienenkamp, JH, Brunklaus, G, Winter, M, and Paillard, E. 2021. “Cation-Assisted Lithium-Ion Transport for High-Performance PEO-based Ternary Solid Polymer Electrolytes.” Angewandte Chemie International Edition 60 (21): 11919–11927.
Biedermann, M, Diddens, D, and Heuer, A. 2021. “Connecting the quantum and classical mechanics simulation world: Applications of reactive step molecular dynamics simulations.” The Journal of Chemical Physics 154 (19): 194105.. doi: 10.1063/5.0048618.
Gardam Giles. 2021. “A counterexample to the unit conjecture for group rings.” Annals of Mathematics 194 (3): 967–979. doi: 10.4007/annals.2021.194.3.9.
Leibner, T, Matis, M, Ohlberger, M, and Rave, S. 2021. “Distributed model order reduction of a model for microtubule-based cell polarization using HAPOD.” arXiv [math.NA] 2111.00129.
Abadeer, M, Magharious, S, and Gorlatch, S. 2021. “Introducing Interactivity in Disaster Recovery Simulations.” in New Trends in Intelligent Software Methodologies, Tools and Techniques, Frontiers in Artificial Intelligence and Applications, edited by H Fujita and H Perez-Meana. Amsterdam: IOS Press. doi: 10.3233/FAIA210026.
Kucher, V, and Gorlatch, S. 2021. “Implicit Data Layout Optimization for Portable Parallel Programming in C++.” in Parallel Computing Technologies, Vol. 12942 of Lecture Notes in Computer Science, edited by V Malyshkin. Cham: Springer. doi: 10.1007/978-3-030-86359-3_17.
Würthwein, G, Lanvers-Kaminsky, C, Siebel, C, Gerß, J, Möricke, A, Zimmermann, M, Stary, J, Smisek, P, Schrappe, M, Rizzari, C, Zucchetti, M, Hempel, G, Wicha, SG, and Boos, J. 2021. “Population Pharmacokinetics of PEGylated Asparaginase in Children with Acute Lymphoblastic Leukemia: Treatment Phase Dependency and Predictivity in Case of Missing Data.” European Journal of Drug Metabolism and Pharmacokinetics 46 (2): 289–300. doi: 10.1007/s13318-021-00670-8.
Meng, X, Klaasen, H, Viergutz, L, Schulze, Lammers B, Witteler, MC, Mönig, H, Amirjalayer, S, Liu, L, Neugebauer, J, Gao, H, Studer, A, and Fuchs, H. 2021. “Azo bond formation on metal surfaces.” Angewandte Chemie International Edition 60 (3): 1458–1464. doi: 10.1002/anie.202011858.
Brunk, Jens, Stierle, Matthias, Papke, Leon, Revoredo, Kate, Matzner, Martin, and Becker, Jörg. 2021. “Cause vs. Effect in Context-Sensitive Prediction of Business Process Instances.” Information Systems 95 (1). doi: 10.1016/j.is.2020.101635.
2020
Menezes, Breno, Herrmann, Nina, Kuchen, Herbert, and Neto, Fernando Buarque de Lima. 2020. “High-Level Parallel Ant Colony Optimization with Algorithmic Skeletons.” contribution to the 13th International Symposium on High-Level Parallel Programming and Applications (HLPP 2020), Porto, Portugal Springer.
Danielova-Zaharieva, Martina, Trede, Mark, and Wilfling, Bernd. 2020. “Bayesian semiparametric multivariate stochastic volatility with application.” Econometric Reviews 39 (9): 947–970. doi: 10.1080/07474938.2020.1761152.
Niehues, I, Marauhn, P, Deilmann, T, Wigger, D, Schmidt, R, Arora, A, Michaelis, de Vasconcellos S, Rohlfing, M, and and, Bratschitsch R. 2020. “Strain tuning of the Stokes shift in atomically thin semiconductors.” Nanoscale 12 (40): 20786–20796. doi: 10.1039/D0NR04557H.
Bienvenut, WV, Brünje, A, Boyer, J, Mühlenbeck, JS, Bernal, G, Lassowskat, I, Dian, C, Linster, E, Dinh, TV, Koskela, MM, Jung, V, Seidel, J, Schyrba, LK, Ivanauskaite, A, Eirich, J, Hell, R, Schwarzer, D, Mulo, P, Wirtz, M, Meinnel, T, Giglione, C, and Finkemeier, I. 2020. “Dual lysine and N-terminal acetyltransferases reveal the complexity underpinning protein acetylation.” Molecular Systems Biology 16 (7): e9464. doi: 10.15252/msb.20209464.
Arora, A, Wessling, NK, Deilmann, T, Reichenauer, T, Steeger, P, Kossacki, P, Potemski, M, Michaelis, de Vasconcellos S, Rohlfing, M, and and, Bratschitsch R. 2020. “Dark trions govern the temperature-dependent optical absorption and emission of doped atomically thin semiconductors.” Physical Review B 101 (24). doi: 10.1103/PhysRevB.101.241413.
Forthmann, B, and Runco, MA. 2020. “An Empirical Test of the Inter-Relationships between Various Bibliometric Creative Scholarship Indicators.” Publications 8 (2): 34. doi: 10.3390/publications8020034.
Koppe, J, and Hansen, MR. 2020. “Minimizing Lineshape Distortions in Static Ultra-wideline Nuclear Magnetic Resonance of Half-Integer Spin Quadrupolar Nuclei.” J. Phys. Chem. A 124 (21): 4314–4321. doi: 10.1021/acs.jpca.0c03658.
Schroeder, C., Mück-Lichtenfeld, C., Xu, L., Grosso-Giordano, N.A., Okrut, A., Chen, C.Y., Zones, S.I., Katz, A., Hansen, M.R., and Koller, H. 2020. “A Stable Silanol Triad in the Zeolite Catalyst SSZ-70.” Angewandte Chemie International Edition 59: 10939 –10943.. doi: 10.1002/anie.202001364.
Jeggle, Julian, Stenhammar, Joakim, and Wittkowski, Raphael. 2020. “Pair-distribution function of active Brownian spheres in two spatial dimensions: simulation results and analytic representation.” Journal of Chemical Physics 152 (19): 194903.. doi: 10.1063/1.5140725.
Paas, B, Zimmermann, T, and Klemm, O. 2020. “Analysis of a turbulent wind field in a street canyon: Good agreement between LES model results and data from a mobile platform.” Meteorologische Zeitschrift (Contrib. Atm. Sci.) 2020. doi: 10.1127/metz/2020/1006.
Doronin, O, Dergun, K, Dergachev, A, Ilina, A, and Gorlatch, S. 2020. “Testing of multithreaded applications with locks on non-atomic variables.” Scientiﬁc and Technical Journal of Information Technologies, Mechanics and Optics 20 (2): 243–248. doi: 10.17586/2226-1494-2020-20-2-243-248.
Schroeder, C, Siozios, V, Mück-Lichtenfeld, C, Hunger, M, Hansen, MR, and Koller, H. 2020. “Hydrogen Bond Formation of Brønsted Acid Sites in Zeolites.” Chemistry of Materials 32: 1564–1574. doi: 10.1021/acs.chemmater.9b04714.
Kucher, Vladyslav, Hunloh, Jens, and Gorlatch, Sergei. 2020. “Performance Portability and Unified Profiling for Finite Element Methods on Parallel Systems.” Advances in Science, Technology and Engineering Systems Journal (ASTESJ) 5 (1): 119–127. doi: 10.25046/aj050116.
Bastian, P, Altenbernd, M, Dreier, N, Engwer, C, Fahlke, J, Fritze, R, Geveler, M, Göddeke, D, Iliev, O, Ippisch, O, Mohring, J, Müthing, S, Ohlberger, M, Ribbrock, D, Shegunov, N, and Turek, S. 2020. “Exa-Dune -- Flexible PDE Solvers, Numerical Methods and Applications.” in Software for Exascale Computing - SPPEXA 2016-2019, Vol. 136 of LNCSE, edited by Hans-Joachim Bungartz, Severin. Uekermann Benjamin Reiz, Philipp Neumann and Wolfgang E Nagel. Cham: Springer International Publishing. doi: 10.1007/978-3-030-47956-5_9.
Wrede, Fabian, Rieger, Christoph, and Kuchen, Herbert. 2020. “Generation of high-performance code based on a domain-specific language for algorithmic skeletons.” The Journal of Supercomputing 75: 1–19. doi: 10.1007/s11227-019-02825-6.
Abadeer, Mina, and Gorlatch, Sergei. 2020. “Simulating Infection Transmission: A Case Study of COVID-19.” in Modelling and Simulation 2020, edited by Alexandre Nketsa, Claude Baron and Clément Foucher. Toulouse: EUROSIS-ETI.
Leistikow, S, Nahardani, A, Hoerr, V, and Linsen, L. 2020. “Interactive Visual Similarity Analysis of Measured and Simulated Multi-field Tubular Flow Ensembles.” in 10th Eurographics Workshop on Visual Computing for Biology and Medicine, VCBM 2020, Tübingen, Germany, September 28 - October 1, 2020, edited by B Kozlíková, M Krone, NN Smit, K Nieselt and RG Raidou. Eurographics Association. doi: 10.2312/vcbm.20201180.
Pessoa, Luis Filipe, Hellingrath, Bernd, and Buarque, Fernando. 2020. “On the Sensitivity Analysis of Cartesian Genetic Programming Hyper-Heuristic.” in Proceedings of the 2020 Genetic and Evolutionary Computation Conference Companion, GECCO '20 New York, NY, USA: ACM Press. doi: 10.1145/3377929.3398142.
Pessoa, Luis Filipe, Hellingrath, Bernd, and Buarque, Fernando. 2020. “Cartesian Genetic Programming Hyper-Heuristic with Parameter Configuration for Production Lot-Sizing.” in 2020 IEEE Congress on Evolutionary Computation (CEC) doi: 10.1109/CEC48606.2020.9185602.
Voß, J, and Wittkowski, R. 2020. “On the shape-dependent propulsion of nano- and microparticles by traveling ultrasound waves.” Nanoscale Advances 2 (9): 3890–3899. doi: 10.1039/D0NA00099J.
Wöste, Marius, Leitão, Elsa, Laurentino, Sandra, Horsthemke, Bernhard, Rahmann, Sven, and Schröder, Christopher. 2020. “wg-blimp: an end-to-end analysis pipeline for whole genome bisulfite sequencing data.” BMC Bioinformatics 2020. doi: 10.1186/s12859-020-3470-5.
Deilmann, T, Krüger, P, and Rohlfing, M. 2020. “Ab Initio Studies of Exciton g Factors: Monolayer Transition Metal Dichalcogenides in Magnetic Fields.” Physical Review Letters 124 (22): 226402.. doi: 10.1103/PhysRevLett.124.226402.
Deilmann, T, Rohlfing, M, and Wurstbauer, U. 2020. “Light--matter interaction in van der Waals hetero-structures.” Journal of Physics: Condensed Matter 32 (33): 333002.. doi: 10.1088/1361-648x/ab8661.
Eickhoff, F, Kolodzeiski, E, Esat, T, Fournier, N, Wagner, C, Deilmann, T, Temirov, R, Rohlfing, M, Tautz, FS, and Anders, FB. 2020. “Inelastic electron tunneling spectroscopy for probing strongly correlated many-body systems by scanning tunneling microscopy.” Physical Review B 101 (12): 125405.. doi: 10.1103/PhysRevB.101.125405.
Deilmann, T. 2020. “Valley selectivity induced by magnetic adsorbates: Triplet oxygen on monolayer MoS2.” Physical Review B 101 (8): 085130.. doi: 10.1103/PhysRevB.101.085130.
Heitger, J., Joswig, F., and Vladikas, A. 2020. “Ward identity determination of Z_S/Z_P for N_f=3 lattice QCD in a Schrödinger functional setup.” The European Physical Journal C 80 (8) 765. doi: 10.1140/epjc/s10052-020-8266-2.
Chimirri, L., Fritzsch, P., Heitger, J., Joswig, F., Panero, M., Pena, C., and Preti, D. 2020. “Non-perturbative renormalization of O(a) improved tensor currents.” in Lattice 2019, Vol. PoS LATTICE2019 of Proceedings of Science Proceedings of Science.
Ren, Jindong, Klaasen, Henning, Witteler, Melanie C., Viergutz, Lena, Neugebauer, Johannes, Gao, Hong-Ying, Studer, Armido, and Fuchs, Harald. 2020. “Aryl Triflates in On-Surface Chemistry.” Chemistry – A European Journal n/a. doi: 10.1002/chem.202002486.
Churakov, G, Zhang, F, Grundmann, N, Makalowski, W, Noll, A, Doronina, L, and Schmitz, J. 2020. “The multi-comparative 2-n-way genome suite.” Genome Research 30. doi: 10.1101/gr.262261.120.
Lengers, F, Kuhn, T, and Reiter, D. 2020. “Theory of the absorption line shape in monolayers of transition metal dichalcogenides.” Physical Review B 101 (15): 155304.. doi: 10.1103/PhysRevB.101.155304.
Fedkevych, Oleh, and Lönnblad, Leif. 2020. “Four-jet double parton scattering production in proton-nucleus collisions within the pythia8 framework.” Physical Review D - Particles, Fields, Gravitation, and Cosmology 102 (1): 014029.. doi: 10.1103/PhysRevD.102.014029.
Hagedorn, Bastian, Lenfers, Johannes, Koehler, Thomas, Qin, Xueying, Gorlatch, Sergei, and Steuwer, Michel. 2020. “Achieving High-Performance the Functional Way: A Functional Pearl on Expressing High-Performance Optimizations as Rewrite Strategies.” in Proceedings of the ACM on Programming Languages, Vol. ICFP of 4 USA.
Rasch, A, Schulze, R, and Gorlatch, S. 2020. “md_poly: A Performance-Portable Polyhedral Compiler Based on Multi-Dimensional Homomorphisms.” contribution to the 10th International Workshop on Polyhedral Compilation Techniques, Bologna
Ali, S, Bergner, G, Gerber, H, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2020. “Continuum extrapolation of Ward identities in N=1 supersymmetric SU(3) Yang-Mills theory.” European Physical Journal C: Particles and Fields 80: 548. doi: 10.1140/epjc/s10052-020-8113-5.
Ali, S, Bergner, G, Gerber, H, Lopez, C, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2020. “Continuum limit of SU(3) N=1 supersymmetric Yang-Mills theory and supersymmetric gauge theories on the lattice.” in Proceedings of the 37th International Symposium on Lattice Field Theory (Lattice 2019), Vol. PoS(LATTICE2019) of Proceedings of Science Proceedings of Science.
Masuhr, Andreas, and Trede, Mark. 2020. “Bayesian Estimation of Generalized Partition of Unity Copulas.” Dependence Modeling 8: 119–131.
Brunk, Jens, Stottmeister, Johannes, Weinzierl, Sven, Matzner, Martin, and Becker, Jörg. 2020. “Exploring the Effect of Context Information on Deep Learning Business Process Predictions.” Journal of Decision Systems 29 (sup1): 328–343. doi: 10.1080/12460125.2020.1790183.
Armbruster, L, Linster, E, Boyer, J, Brünje, A, Eirich, J, Stephan, I, Bienvenut, WV, Weidenhausen, J, Meinnel, T, Hell, R, Sinning, I, Finkemeier, I, Giglione, C, and Wirtz, M. 2020. “NAA50 is an enzymatically active Nα-acetyltransferase that is crucial for development and regulation of stress responses.” Plant Physiology 183 (4): 1502–1516. doi: 10.1104/pp.20.00222.
Schneider, Florian, and Leibner, Tobias. 2020. “First-order continuous- and discontinuous-Galerkin moment models for a linear kinetic equation: Model derivation and realizability theory.” Journal of Computational Physics 416: 109547.. doi: 10.1016/j.jcp.2020.109547.
Wallauer, R, Marauhn, P, Reimann, J, Zoerb, S, Kraus, F, Guedde, J, Rohlfing, M, and Hoefer, U. 2020. “Momentum-resolved observation of ultrafast interlayer charge transfer between the topmost layers of MoS2.” Physical Review B 102 (12). doi: 10.1103/PhysRevB.102.125417.
Haags, A, Reichmann, A, Fan, Q, Egger, L, Kirschner, H, Naumann, T, Werner, S, Vollgraff, T, Sundermeyer, J, Eschmann, L, Yang, X, Brandstetter, D, Bocquet, FC, Koller, G, Gottwald, A, Richter, M, Ramsey, MG, Rohlfing, M, Puschnig, P, Gottfried, JM, Soubatch, S, and Tautz, FS. 2020. “Kekulene: On-Surface Synthesis, Orbital Structure, and Aromatic Stabilization.” ACS Nano 14 (11): 15766–15775. doi: 10.1021/acsnano.0c06798.
Holtkemper, M, Quinteiro, GF, Reiter, DE, and Kuhn, T. 2020. “Selection rules for the excitation of quantum dots by spatially structured light beams: Application to the reconstruction of higher excited exciton wave functions.” Physical Review B 102: 165315. doi: 10.1103/PhysRevB.102.165315.
Wrede, Fabian, and Kuchen, Herbert. 2020. “Towards High-Performance Code Generation for Multi-GPU Clusters Based on a Domain-Specific Language for Algorithmic Skeletons.” International Journal of Parallel Programming 48 (4): 713–728. doi: 10.1007/s10766-020-00659-x.
Krukar, J, Mavros, P, and Hoelscher, C. 2020. “Towards capturing focal/ambient attention during dynamic wayfinding.” contribution to the ETRA '20 Adjunct: ACM Symposium on Eye Tracking Research and Applications, Stuttgart doi: 10.1145/3379157.3391417.
Kholod, I, Rukavitsyn, A, Paznikov, A, and Gorlatch, S. 2020. “Parallelization of the self-organized maps algorithm for federated learning on distributed sources.” The Journal of Supercomputing 2020. doi: 10.1007/s11227-020-03509-2.
Eickhoff, F, Kolodzeiski, E, Esat, T, Fournier, N, Wagner, C, Deilmann, T, Temirov, R, Rohlfing, M, Tautz, FS, and Anders, FB. 2020. “Inelastic electron tunneling spectroscopy for probing strongly correlated many body systems by scanning tunneling microscopy.” Physical Review B 101 (12). doi: 10.1103/PhysRevB.101.125405.
Olthaus, J, Schrinner, PP J, Reiter, DE, and Schuck, C. 2020. “Optimal photonic crystal cavities for coupling nanoemitters to photonic integrated circuits.” Advanced Quantum Technologies 3 (2): 1900084.. doi: 10.1002/qute.201900084.
2019
Ivashchenko, Sergey, and Mutschler, Willi. 2019. “The effect of observables, functional specifications, model features and shocks on identification in linearized DSGE models.” Economic Modelling 2019. doi: 10.1016/j.econmod.2019.09.039.
Sandmann, N, Bachmann, J, Hepp, A, Doltsinis, NL, and Müller, J. 2019. “Copper(II)-mediated base pairing involving the artificial nucleobase 3H-imidazo[4,5-f]quinolin-5-ol.” Dalton Transactions 48: 10505–10515. doi: 10.1039/C9DT02043H.
Meyer, H, Schmidt, J, Detsch, F, and Nauss, T. 2019. “Hourly gridded air temperatures of South Africa derived from MSG SEVIRI.” International Journal of Applied Earth Observation and Geoinformation 78: 261–267. doi: 10.1016/j.jag.2019.02.006.
Maas, C., and Hansen, U. 2019. “Dynamics of a terrestrial magma ocean under planetary rotation: A study in spherical geometry.” Earth and Planetary Science Letters 513: 81–94. doi: 10.1016/j.epsl.2019.02.016.
Guzey, V, and Klasen, M. 2019. “Inclusive dijet photoproduction in ultraperipheral heavy ion collisions at the CERN Large Hadron Collider in next-to-leading order QCD.” Phys. Rev. C99 (6): 065202.. doi: 10.1103/PhysRevC.99.065202.
Guzey, V, and Klasen, M. 2019. “Inclusive and diffractive dijet photoproduction in UPCs at the LHC in NLO QCD.” in 2019 European Physical Society Conference on High Energy Physics (EPS-HEP2019) Ghent, Belgium, July 10-17, 2019
Berns, F, Schmidt, K, Grass, A, and Beecks, C. 2019. “A New Approach for Efficient Structure Discovery in IoT.” in 2019 IEEE International Conference on Big Data (Big Data) Wiley-IEEE Press. doi: 10.1109/BigData47090.2019.9006082.
Engelnkemper, S, and Thiele, U. 2019. “The collective behaviour of ensembles of condensing liquid drops on heterogeneous inclined substrates.” Europhysics Letters 127: 54002.. doi: 10.1209/0295-5075/127/54002.
Abadeer, M, and Gorlatch, S. 2019. “Distributed Simulation of Crowds with Groups in CrowdSim.” in 2019 IEEE/ACM 23rd International Symposium on Distributed Simulation and Real Time Applications (DS-RT), edited by IEEE Cosenza: Wiley-IEEE Press. doi: 10.1109/DS-RT47707.2019.8958690.
Börner, MC, and Neugebauer, J. 2019. “Optimizing bidentate N-heterocyclic carbene ligands for the modification of late transition metal surfaces – new insights through theory.” Phys. Chem. Chem. Phys. -: –.. doi: 10.1039/C9CP03840J.
Klaasen, H, Liu, L, Gao, H, Viergutz, L, Held, PA, Knecht, T, Meng, X, Börner, MC, Barton, D, Amirjalayer, S, Neugebauer, J, Studer, A, and Fuchs, H. 2019. “Intermolecular coupling and intramolecular cyclization of aryl nitriles on Au(111).” Chemical communications 55: 11611–11614. doi: 10.1039/C9CC03418H.
Eschmann, L, Sabitova, A, Temirov, R, Tautz, FS, Krueger, P, and Rohlfing, M. 2019. “Coverage-dependent anisotropy of the NTCDA/Ag(111) interface state dispersion.” Physical Review B 100 (12). doi: 10.1103/PhysRevB.100.125155.
Arora, A, Deilmann, T, Reichenauer, T, Kern, J, Vasconcellos, SM, Rohlfing, M, and Bratschitsch, R. 2019. “Excited-State Trions in Monolayer WS2.” Physical Review Letters 123 (16). doi: 10.1103/PhysRevLett.123.167401.
Menezes, Breno, Amorim, Hugo, Kuchen, Herbert, and Buarque, Fernando. 2019. “Parallelization Strategies for GPU-Based Ant Colony Optimization Solving the Traveling Salesman Problem.” contribution to the 2019 IEEE Congress on Evolutionary Computation (CEC), Wellington, New Zealand doi: 10.1109/CEC.2019.8790073.
Gesenhues, J, Nabok, D, Rohlfing, M, and Draxl, C. 2019. “Analytical representation of dynamical quantities in GW from a matrix resolvent (vol 96, 245124, 2017).” Physical Review B 99 (9). doi: 10.1103/PhysRevB.99.099905.
Lettmann, T, and Rohlfing, M. 2019. “Electronic Excitations of Polythiophene within Many-Body Perturbation Theory with and without the Tamm-Dancoff Approximation.” Journal of Chemical Theory and Computation 15 (8): 4547–4554. doi: 10.1021/acs.jctc.9b00223.
Borisenko, A, and Gorlatch, S. 2019. “Optimizing a GPU-Parallelized Ant Colony Metaheuristic by Parameter Tuning.” in Parallel Computing Technologies. PaCT 2019, Vol. 11657 of Lecture Notes in Computer Science, edited by V Malyshkin. Cham: Springer. doi: 10.1007/978-3-030-25636-4_12.
de Divitiis, G.M., Fritzsch, P., Heitger, J., Köster, C.C., Kuberski, S., and Vladikas, A. 2019. “Non-perturbative determination of improvement coefficients b_m and b_A-b_P and normalisation factor Z_m*Z_P/Z_A with N_f=3 Wilson fermions.” European Physical Journal C 79 (9): 797.
Ali, S, Bergner, G, Gerber, H, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2019. “Numerical results for the lightest bound states in N=1 supersymmetric SU(3) Yang-Mills theory.” Physical Review Letters 122: 221601.
Ali, S, Bergner, G, Gerber, H, Kuberski, S, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2019. “Variational analysis of low-lying states in supersymmetric Yang-Mills theory.” Journal of High Energy Physics (JHEP) 2019 (04): 250. doi: 10.1007/JHEP04(2019)150.
Rasch, Ari, Bigge, Julian, Wrodarczyk, Martin, Schulze, Richard, and Gorlatch, Sergei. 2019. “dOCAL: high-level distributed programming with OpenCL and CUDA.” The Journal of Supercomputing 65: 1–22. doi: 10.1007/s11227-019-02829-2.
Fischer, J, Walter, C, Tönges, A, Aleth, H, Jordão, MJC, Leddin, M, Gröning, V, Erdmann, T, Lenz, G, Roth, J, Vogl, T, Prinz, M, Dugas, M, Jacobsen, ID, and Rosenbauer, F. 2019. “Safeguard function of PU.1 shapes the inflammatory epigenome of neutrophils.” Nature Immunology Mar 25.
Guzey, V, and Klasen, M. 2019. “Constraints on nuclear parton distributions from dijet photoproduction at the LHC.” Eur. Phys. J. C79: 396.
Rieger, Christoph, Wrede, Fabian, and Kuchen, Herbert. 2019. “Musket: A Domain-Specific Language for High-Level Parallel Programming with Algorithmic Skeletons.” contribution to the 34nd Annual ACM Symposium on Applied Computing (SAC), Limassol, Cyprus doi: 10.1145/3297280.3297434.
Kucher, Vladyslav, Fey, Florian, and Gorlatch, Sergei. 2019. “Unified Cross-Platform Profiling of Parallel C++ Applications.” contribution to the 2018 IEEE/ACM Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems (PMBS), Dallas, TX, USA doi: 10.1109/PMBS.2018.8641652.
Rasch, A, and Gorlatch, S. 2019. “ATF: A generic directive‐based auto‐tuning framework.” Concurrency Computation - Practice and Experience 31 (5). doi: 10.1002/cpe.4423.
Heissenbüttel, M, Marauhn, P, Deilmann, T, Krüger, P, and Rohlfing, M. 2019. “Nature of the excited states of layered systems and molecular excimers: Exciplex states and their dependence on structure.” Physical Review B 99: 035425.. doi: 10.1103/PhysRevB.99.035425.
Kötter, A, Mootz, H, and Heuer, A. 2019. “Standard binding free energy of a SIM SUMO complex.” J. Chem. Theory Comp. 15: 6403–6410.
Hakobyan, D, and Heuer, A. 2019. “Comparing an all-atom and a coarse-grained description of lipid bilayers in terms of enthalpies and entropies: from MD simulations to 2D lattice models.” J. Chem.Theory Comp. 15: 6393–6402.
Raschke, S, and Heuer, A. 2019. “Non-equilibrium effects of micelle formation as studied by a minimum particle-based model.” J. Chem. Phys. 150(20): 204903..
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Rosati, R., Lengers, F., Reiter, D.E., and Kuhn, T. 2019. “Effective detection of spatio-temporal carrier dynamics by carrier capture.” J. Phys.: Condens. Matter 31: 28LT01.. doi: 10.1088/1361-648x/ab17a8.
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Heitger, J., Joswig, F., and Kuberski, S. 2019. “Towards the determination of the charm quark mass on N_f=2+1 CLS ensembles.” in Lattice 2019, Vol. PoS LATTICE2019 of Proceedings of Science Proceedings of Science.
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2018
Ali, S, Bergner, G, Gerber, H, Giudice, P, Kuberski, S, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2018. “Improved results for the mass spectrum of N = 1 supersymmetric SU(3) Yang-Mills theory.” in Proceedings of the 35th International Symposium on Lattice Field Theory (Lattice 2017), Vol. 175 of EPJ Web of Conferences, edited by M. Della Morte, P. Fritzsch, E. Gámiz Sánchez and C. Pena Ruano. Les Ulis Cedex: EDP Sciences. doi: 10.1051/epjconf/201817508001.
Wrede, Fabian, Menezes, Breno, and Kuchen, Herbert. 2018. “Fish School Search with Algorithmic Skeletons.” International Journal of Parallel Programming - (-): 1–19. doi: 10.1007/s10766-018-0564-z.
Menezes, Breno, Wrede, Fabian, Kuchen, Herbert, and Buarque, Fernando. 2018. “Parameter Selection for Swarm Intelligence Algorithms: Case Study on Parallel Implementation of FSS.” contribution to the 4th IEEE Latin American Conference on Computational Intelligence (LA-CCI '17), Arequipa, Peru doi: 10.1109/LA-CCI.2017.8285694.
Arora, A, Deilmann, T, Marauhn, P, Drüppel, M, Schneider, R, Molas, MR, Vaclavkova, D, Michaelis, de Vasconcellos S, Rohlfing, M, Potemski, M, and and, Bratschitsch R. 2018. “Valley-contrasting optics of interlayer excitons in Mo- and W-based bulk transition metal dichalcogenides.” Nanoscale 10: 15571–15577. doi: 10.1039/C8NR03764G.
Mönig, H., Amirjalayer, S., Timmer, A., Hu, Z.-X., Liu, L., Díaz Arado, O., Cnudde, M., Strassert, C.A., Ji, W., Rohlfing, M., and Fuchs, H. 2018. “Quantitative assessment of intermolecular interactions by atomic force microscopy imaging using copper oxide tips.” Nature Nanotechnology 13 (5): 371–375. doi: 10.1038/s41565-018-0104-4.
Kholod, I, Shorov, A, Titkov, E, and Gorlatch, S. 2018. “A formally based parallelization of data mining algorithms for multi-core systems.” The Journal of Supercomputing 2018: 1–12. doi: 10.1007/s11227-018-2473-8.
Borisenko, A, and Gorlatch, S. 2018. “Comparing GPU-parallelized metaheuristics to branch-and-bound for batch plants optimization.” The Journal of Supercomputing 2018: 1–13. doi: 10.1007/s11227-018-2472-9.
Bergner, G, Giudice, P, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2018. “Low energy properties of SU(2) gauge theory with N_f = 3/2 flavours of adjoint fermions.” Journal of High Energy Physics (JHEP) 2018 (1): 119.
Ali, S, Bergner, G, Gerber, H, Giudice, P, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2018. “Investigation of theories beyond the standard model.” in Proceedings of the NIC Symposium 2018, Vol. 49 of NIC Series, edited by K Binder, M Müller and A Trautmann. Jülich.
Brunk, Jens, Riehle, Dennis M, and Delfmann, Patrick. 2018. “Prediction of Customer Movements in Large Tourism Industries by the Means of Process Mining.” contribution to the European Conference on Information Systems (ECIS 2018), Portsmouth, UK
Lange, M., Tendyck, J., Wegener, P., Hepp, A., Würthwein, E., and Uhl, W. 2018. “Reactions of an Aluminium/Phosphorus Frustrated Lewis Pair (FLP) with α,β-Unsaturated Carbonyl Compounds: FLPs as Efficient Two-Electron Reductants with the Formation of Enolates, a cis-Enediolate, and an Allene.” Chemistry - A European Journal null (null). doi: 10.1002/chem.201706089.
Niehues, I, Schmidt, R, Drüppel, M, Marauhn, P, Christiansen, D, Selig, M, Berghäuser, G, Wigger, D, Schneider, R, Braasch, L, Koch, R, Castellanos-Gomez, A, Kuhn, T, Knorr, A, Malic, E, Rohlfing, M, Michaelis, de Vasconcellos S, and and, Bratschitsch R. 2018. “Strain control of exciton-phonon coupling in atomically thin semiconductors.” Nano Letters 18 (3): 1751–1757. doi: 10.1021/acs.nanolett.7b04868.
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Hagedorn, B., Steuwer, M., and Gorlatch, S. 2018. “A Transformation-Based Approach to Developing High-Performance GPU Programs.” in Vol. null of Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) Springer. doi: 10.1007/978-3-319-74313-4_14.
Menezes, Breno, Wrede, Fabian, Kuchen, Herbert, and Buarque, Fernando. 2018. “Parameter Selection for Swarm Intelligence Algorithms: Case Study on Parallel Implementation of FSS.” International Journal of Swarm Intelligence Research, Volume 9 9. doi: 10.4018/IJSIR.2018100101.
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Guzey, V, and Klasen, M. 2018. “Inclusive dijet photoproduction in ultraperipheral heavy-ion collisions at the LHC in next-to-leading order QCD.” Phys. Rev. C99: 065202.
Fritzsch, P., Heitger, J., and Kuberski, S. 2018. “O(a) improved quark mass renormalization for a non-perturbative matching of HQET to three-flavor QCD.” in Lattice 2018, Vol. PoS LATTICE2018 of Proceedings of Science Proceedings of Science.
Heitger, J., Joswig, F., and Vladikas, A. 2018. “Z_S/Z_P from three-flavour lattice QCD.” in Lattice 2018, Vol. PoS LATTICE2018 of Proceedings of Science Proceedings of Science.
Collins, S., Eckert, K., Heitger, J., Hofmann, S., and Söldner, W. 2018. “Leptonic decay constants for D-mesons from 3-flavour CLS ensembles.” in Lattice 2017, Vol. 175 (2018) of EPJ Web Conf. Springer.
Heitger, J., Joswig, F., Vladikas, A., and Wittemeier, C. 2018. “Non-perturbative determination of c_V, Z_V and Z_S/Z_P in N_f=3 lattice QCD.” in Lattice 2017, Vol. 175 (2018) of EPJ Web Conf. Springer.
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Bergner, G, Giudice, P, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2018. “Indications for infrared conformal behaviour of SU(2) gauge theory with Nf = 3/2 flavours of adjoint fermions.” in Proceedings of the 36th International Symposium on Lattice Field Theory (Lattice 2018), Vol. PoS(LATTICE2018) of Proceedings of Science Proceedings of Science.
Ali, S, Bergner, G, Gerber, H, Lopez, C, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2018. “Baryonic states in supersymmetric Yang-Mills theory.” in Proceedings of the 36th International Symposium on Lattice Field Theory (Lattice 2018), Vol. PoS(LATTICE2018) of Proceedings of Science Proceedings of Science.
Ali, S, Bergner, G, Gerber, H, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2018. “Analysis of Ward identities in supersymmetric Yang-Mills theory.” European Physical Journal C: Particles and Fields 78 (5): 404. doi: 10.1140/epjc/s10052-018-5887-9.
Ali, S, Bergner, G, Gerber, H, Giudice, P, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2018. “The light bound states of N=1 supersymmetric SU(3) Yang-Mills theory on the lattice.” Journal of High Energy Physics (JHEP) 2018 (03): 113. doi: 10.1007/JHEP03(2018)113.
Brunk, Jens, Revoredo, Kate, Stierle, Matthias, Matzner, Martin, Delfmann, Patrick, and Becker, Jörg. 2018. “Prediction of Business Process Instances with Dynamic Bayesian Networks.” in Proceedings of the 8th International Symposium on Data-driven Process Discovery and Analysis (SIMPDA 2018), Vol. 2270 , edited by Paolo Ceravolo, López M. Teresa Gómez and Keulen Maurice Van. Sevilla, Spanien: CEUR-WS.
Chen, T, Hao, Y, Jin, F, Wei, M, Feng, J, Jia, R, Yi, Z, Rohlfing, M, Liu, C, and Ma, Y. 2018. “Origin of the deep band-gap state in TiO2(110): dd-sigma bonds between Ti-Ti pairs.” Phys. Rev. B 98: 205135.. doi: 10.1103/PhysRevB.98.205135.
Temirov, R, Green, MFB, Friedrich, N, Leinen, P, Esat, T, Chmielniak, P, Sarwar, S, Rawson, J, Koegerler, P, Wagner, C, Rohlfing, M, and Tautz, FS. 2018. “Molecular Model of a Quantum Dot Beyond the Constant Interaction Approximation.” Physical Review Letters 120 (20). doi: 10.1103/PhysRevLett.120.206801.
Niu, Y, Gonzalez-Abad, S, Frisenda, R, Marauhn, P, Drueppel, M, Gant, P, Schmidt, R, Taghavi, NS, Barcons, D, Molina-Mendoza, AJ, Vasconcellos, SM, Bratschitsch, R, Perez, DeLara D, Rohlfing, M, and Castellanos-Gomez, A. 2018. “Thickness-Dependent Differential Reflectance Spectra of Monolayer and Few-Layer MoS2, MoSe2, WS2 and WSe2.” Nanomaterials 8 (9). doi: 10.3390/nano8090725.
Drueppel, M, Deilmann, T, Noky, J, Marauhn, P, Krueger, P, and Rohlfing, M. 2018. “Electronic excitations in transition metal dichalcogenide monolayers from an LDA plus GdW approach.” Physical Review B 98 (15). doi: 10.1103/PhysRevB.98.155433.
Eickholt, P, Noky, J, Schwier, EF, Shimada, K, Miyamoto, K, Okuda, T, Datzer, C, Drueppel, M, Krueger, P, Rohlfing, M, and Donath, M. 2018. “Location of the valence band maximum in the band structure of anisotropic 1T '-ReSe2.” Physical Review B 97 (16). doi: 10.1103/PhysRevB.97.165130.
Kerber, R, Fitzgerald, J, Xiao, X, Oh, S, Maier, S, Giannini, V, and Reiter, D. 2018. “Interaction of an Archimedean spiral structure with orbital angular momentum light.” New Journal of Physics 20 (9): 095005.. doi: 10.1088/1367-2630/aae105.
Narayanan, Kishnamoorthy A, Oldiges, K, Winter, M, Heuer, A, Cekic-Laskovic, I, Holm, C, and Smiatek, J. 2018. “Electrolyte solvents for high voltage lithium ion batteries: ion correlation and specific anion effects in adiponitrile.” Phys.Chem.Chem.Phy., 25701. doi: 10.1002/aenm.201802151.
Wrede, Fabian, Rieger, Christoph, and Kuchen, Herbert. 2018. “Generation of High-Performance Code Based on a Domain-Specific Language for Algorithmic Skeletons.” contribution to the High-Level Parallel Programming and Applications (HLPP '18), Orléans, France
Smiatek, J, Heuer, A, and Winter, M. 2018. “Properties of Ion Complexes and Their Impact on Charge Transport in Organic Solvent-Based Electrolyte Solutions for Lithium Batteries: Insights from a Theoretical Perspective.” Batteries 4/4): 62..
Harrison, MC, Arning, N, Kremer, LPM, Ylla, G, Belles, X, Bornberg-Bauer, E, Huylmans, AK, Jongepier, E, Piulachs, MD, Richards, S, and Schal, C. 2018. “Expansions of key protein families in the German cockroach highlight the molecular basis of its remarkable success as a global indoor pest.” J. Exp. Zool. B Mol. Dev. Evol. 330 (5): 254–264. doi: 10.1002/jez.b.22824.
Himpe, C, Leibner, T, and Rave, S. 2018. “Hierarchical Approximate Proper Orthogonal Decomposition.” SIAM Journal on Scientific Computing 40 (5): A3267–A3292.
Wrede, Fabian, Menezes, Breno, Pessoa, Luis F., Hellingrath, Bernd, Buarque, Fernando, and Kuchen, Herbert. 2018. “High-level Parallel Implementation of Swarm Intelligence-based Optimization Algorithms with Algorithmic Skeletons.” in Parallel Computing is Everywhere, Vol. 32 of Advances In Parallel Computing, edited by Sanzio Bassini, Marco Danelutto, Patrizio Dazzi, Gerhard R. Joubert and Frans Peters. Amsterdam, Berlin, Washington DC: IOP Publishing.
Rasch, A, and Gorlatch, S. 2018. “ATF: A Generic, Directive-Based Auto-Tuning Framework.” Concurrency Computation - Practice and Experience 30 (3). doi: 10.1002/cpe.4423.
Ali, S, Bergner, G, Gerber, H, Giudice, P, Kuberski, S, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2018. “Supermultiplets in N =1 SUSY SU(2) Yang-Mills theory.” in Proceedings of the 35th International Symposium on Lattice Field Theory (Lattice 2017), Vol. 175 of EPJ Web of Conferences
Ali, S, Bergner, G, Gerber, H, Giudice, P, Montvay, I, Münster, G, Piemonte, S, and Scior, P. 2018. “Ward identities in N = 1 supersymmetric SU(3) Yang-Mills theory on the lattice.” in Proceedings of the 35th International Symposium on Lattice Field Theory (Lattice 2017), Vol. 175 of EPJ Web of Conferences
Wrede, Fabian, and Ernsting, Steffen. 2018. “Simultaneous CPU–GPU Execution of Data Parallel Algorithmic Skeletons.” International Journal of Parallel Programming 46 (1): 42–61. doi: 10.1007/s10766-016-0483-9.
2017
Wrede, Fabian, and von, Hof Vincent. 2017. “Enabling Efficient Use of Algorithmic Skeletons in Cloud Environments: Container-based Virtualization for Hybrid CPU-GPU Execution of Data-parallel Skeletons.” in SAC '17 Proceedings of the Symposium on Applied Computing, edited by Sung Y. Shin, Dongwan Shin and Maria Lencastre. New York, NY, USA: ACM Press. doi: 10.1145/3019612.3019894.
Haidl, M, Steuwer, M, Dirks, H, Humernbrum, T, and Gorlatch, S. 2017. “Towards Composable GPU Programming: Programming GPUs with Eager Actions and Lazy Views.” in Proceedings of the 8th International Workshop on Programming Models and Applications for Multicores and Manycores, edited by Q Chen and Z Huang. New York, NY: ACM Press. doi: 10.1145/3026937.3026942.
Hokamp, T, Dewanji, A, Lübbesmeyer, M, Mück-Lichtenfeld, C, Würthwein, E-U, and Studer, A. 2017. “Radical Hydrodehalogenation of Aryl Bromides and Chlorides with Sodium Hydride and 1,4-Dioxane.” Angew. Chem. Int. Edition 2017: 13275–13278.
Hokamp, T, Dewanji, A, Lübbesmeyer, M, Mück-Lichtenfeld, C, Würthwein, E.-U., and Studer, A. 2017. “Radikalische Hydrodehalogenierung von Arylbromiden und –chloriden mit Natriumhydrid und 1,4-Dioxan.” Angew. Chem. 2017: 13459–13462.
Drüppel, M., Deilmann, T., Krüger, P., and Rohlfing, M. 2017. “Diversity of trion states and substrate effects in the optical properties of an MoS2 monolayer.” Nature Communications 8 (1). doi: 10.1038/s41467-017-02286-6.
Kessler, Christoph, Gorlatch, Sergei, Enmyren, Johan, Dastgeer, Usman, Steuwer, Michel, and Kegel, Philipp. 2017. “Skeleton Programming for Portable Many-Core Computing.” in Programming Multicore and Many-core Computing Systems, edited by Sabri Pllana and Fatos Xhafa. John Wiley & Sons.
Würthwein, G, Lanvers-Kaminsky, C, Hempel, G, Gastine, S, Möricke, A, Schrappe, M, Karlsson, M, and Boos, J. 2017. “Population Pharmacokinetics to Model the Time-Varying Clearance of the PEGylated Asparaginase Oncaspar® in Children with Acute Lymphoblastic Leukemia.” European Journal of Drug Metabolism and Pharmacokinetics 42 (6): 955–963. doi: 10.1007/s13318-017-0410-5.
Martinewski, K., Holtrichter-Rößmann, T., Rösener, C., Hepp, A., Würthwein, E., and Uhl, W. 2017. “Cooperative Activation of Isocyanates by Al–N-Based Active Lewis Pairs and the Generation of a C5 Chain by Simultaneous Formation of Two C–C Bonds.” Chemistry - A European Journal 23 (25): 6129–6141. doi: 10.1002/chem.201604630.
Hakobyan, D, Gerke, V, and Heuer, A. 2017. “Modeling of annexin A2ÐMembrane interactions by molecular dynamics simulations.” PloS one 12(9): e0185440..
Diddens, D, Lesch, V, Heuer, A, and Smiatek, J. 2017. “Aqueous Ionic Liquids and Their Influence on Peptide Conformations: Denaturation and Dehydration Mechanisms.” Phys. Chem. Chem. Phys. 19: 20430–20440.
de Jong, DH, and Heuer, A. 2017. “The influence of solid scaffolds on flat and curved lipid membranes.” AIP Advances 7: 075007..
Diddens, D, Paillard, E, and Heuer, A. 2017. “Improving the Lithium Ion Transport in Polymer Electrolytes by Functionalized Ionic-Liquid Additives: Simulations and Modeling.” J.Electrochem. Soc., 164 (11): E3225–E3231..
Marek, JJ, Singh, RP, Heuer, A, and Hennecke, U. 2017. “Enantioselective Catalysis by Using Short, Structurally Defined DNA Hairpins as Scaffold for Hybrid Catalysts.” Chem. Eur. J. 23: 6004–6008.
Danielova, Zaharieva Martina, Trede, Mark, and Wilfling, Bernd. 2017. “Bayesian semiparameric multivariate stochastic volatility with an application to international volatility co-movements.” CQE-Working-Papers № 62/2017. University of Muenster: Center for Quantitative Economics (CQE), University of Muenster.
Deilmann, T., and Rohlfing, M. 2017. “Huge Trionic Effects in Graphene Nanoribbons.” Nano Letters 17 (11): 6833–6837. doi: 10.1021/acs.nanolett.7b03111.
Borisenko, A, and Gorlatch, S. 2017. “Parallelizing Metaheuristics for Optimal Design of Multiproduct Batch Plants on GPU.” in Lecture Notes in Computer Science (LNCS, volume 10421), edited by V. Malyshkin. Cham: Springer. doi: 10.1007/978-3-319-62932-2_39.
Riemenschneider, M, Herbst, A, Rasch, A, Gorlatch, S, and Heider, D. 2017. “eccCL: Parallelized GPU Implementation of Ensemble Classifier Chains.” BMC Bioinformatics 2017. doi: 10.1186/s12859-017-1783-9.
Bohl, MT, Branger, N, and Trede, M. 2017. “The Case for Herding is Stronger than You Think.” Journal of Banking and Finance 85 (December): 30–40. doi: 10.1016/j.jbankfin.2017.08.006.
Arora, A, Noky, J, Drüppel, M, Jariwala, B, Deilmann, T, Schneider, R, Schmidt, R, Del, Pozo-Zamudio O, Stiehm, T, Bhattacharya, A, Krüger, P, Michaelis, de Vasconcellos S, Rohlfing, M, and Bratschitsch, R. 2017. “Highly Anisotropic in-Plane Excitons in Atomically Thin and Bulklike 1T′-ReSe2.” Nano Letters 17 (5): 3202–3207. doi: 10.1021/acs.nanolett.7b00765.
Byrne, PA, Kobayashi, S, Würthwein, EU, Ammer, J, and Mayr, H. 2017. “Why are Vinyl Cations Sluggish Electrophiles?” J. Amer. Chem. Soc. 139: 1499–1511.
Wilczek, M., Tewes, W., Engelnkemper, S., Gurevich, S.V., and Thiele, U. 2017. “Sliding Drops: Ensemble Statistics from Single Drop Bifurcations.” Physical Review Letters 119: 204501.. doi: 10.1103/PhysRevLett.119.204501.
Rasch, A, and Gorlatch, S. 2017. “Multi-Dimensional Homomorphisms and Their Implementation in OpenCL.” International Journal of Parallel Programming 2017: 1–19. doi: 10.1007/s10766-017-0508-z.
Frisenda, R, Drüppel, M, Schmidt, R, Michaelis, de Vasconcellos S, Perez, de Lara D, Bratschitsch, R, Rohlfing, M, and and, Castellanos-Gomez A. 2017. “Biaxial strain tuning of the optical properties of single-layer transition metal dichalcogenides.” npj 2D Materials and Applications 1. doi: 10.1038/s41699-017-0013-7.
Trinschek, S, John, K, Lecuyer, S, and Thiele, U. 2017. “Continuous vs. arrested spreading of biofilms at solid-gas interfaces - the role of surface forces.” Phys. Rev. Lett. 119: 078003..
Datzer, C., Zumbülte, A., Braun, J., Förster, T., Schmidt, A., Mi, J., Iversen, B., Hofmann, P., Minár, J., Ebert, H., Krüger, P., Rohlfing, M., and Donath, M. 2017. “Unraveling the spin structure of unoccupied states in Bi2Se3.” Physical Review B 95 (11). doi: 10.1103/PhysRevB.95.115401.
Collins, S., Eckert, K., Heitger, J., Hofmann, S., and Söldner, W. 2017. “Charmed pseudoscalar decay constants on three-flavour CLS ensembles with open boundaries.” in LATTICE2016, Vol. LATTICE2016 of Proceedings of Science Proceedings of Science.
Della, Morte M., Heitger, J., Korcyl, P., Simma, H., and Wittemeier, C. 2017. “Non-perturbative matching of HQET heavy-light axial and vector currents in N_f=2 lattice QCD.” in LATTICE2016, Vol. LATTICE2016 of Proceedings of Science Proceedings of Science.
Haidl, M, and Gorlatch, S. 2017. “High-Level Programming for Many-Cores using C++14 and the STL.” International Journal of Parallel Programming 2017. doi: 10.1007/s10766-017-0497-y.
Wilczek, M., Zhu, J., Chi, L., Thiele, U., and Gurevich, S.V. 2017. “Dip-coating with prestructured substrates: transfer of simple liquids and Langmuir-Blodgett monolayers.” J. Phys.: Condens. Matter 29: 014002.. doi: 10.1088/0953-8984/29/1/014002.
Bergner, G, Giudice, P, Montvay, I, Münster, G, and Piemonte, S. 2017. “The spectrum and mass anomalous dimension of SU(2) adjoint QCD with two Dirac flavours.” Physical Review D - Particles, Fields, Gravitation, and Cosmology 96: 034504. doi: 10.1103/PhysRevD.96.034504.
Xu, P, Würthwein, E-U, Daniliuc, C-G, and Studer, A. 2017. “Übergangsmetallfreie ringöffnende Silylierung von Indolen undBenzofuranen mit (Diphenyl-tert-butylsilyl)lithium.” Angew. Chem. 2017: 14060–14063.
2016
Förster, Tobias, Krüger, Peter, and Rohlfing, Michael. 2016. “GW calculations for Bi2Te3 and Sb2Te3 thin films: Electronic and topological properties.” Physical Review B - Condensed Matter 93 (20): 205442.. doi: 10.1103/PhysRevB.93.205442.
Deilmann, T, Drüppel, M, and Rohlfing, M. 2016. “Three-particle correlation from a Many-Body Perspective: Trions in a Carbon Nanotube.” Physical Review Letters 116 (19): 196804. doi: 10.1103/PhysRevLett.116.196804.
Boecker, F, Buerger, H, Mallela, NV, and Korsching, E. 2016. “TMAinspiration: Decode Interdependencies in Multifactorial Tissue Microarray Data.” Cancer Informatics 15: 143–149. doi: 10.4137/CIN.S39112.
Winands, T, Böckmann, M, Schemme, T, Timmy, LyP-M, de Jong, DH, Wang, Z, Denz, C, Heuer, A, and Doltsinis, NL. 2016. “P3HT:DiPBI bulk heterojunction solar cells: morphology and electronic structure probed by multiscale simulation and UV/vis spectroscopy.” Physical Chemistry Chemical Physics 18. doi: 10.1039/C5CP06704A.
Wang, D, de Jong, DH, Rühling, A, Lesch, V, Shimizu, K, Wulff, S, Heuer, A, Glorius, F, and Galla, H-J. 2016. “Imidazolium-based lipid analogues and their interaction with phosphatidylcholine membranes.” Langmuir 145: 204507..
Schmidt, R., Niehues, I., Schneider, R., Drüppel, M., Deilmann, T., Rohlfing, M., De Vasconcellos, S., Castellanos-Gomez, A., and Bratschitsch, R. 2016. “Reversible uniaxial strain tuning in atomically thin WSe2.” 2D Materials 3 (2). doi: 10.1088/2053-1583/3/2/021011.
Fritzsch, P., Garron, N., and Heitger, J. 2016. “Non-perturbative tests of continuum HQET through small-volume two-flavour QCD.” Journal of High Energy Physics (JHEP) 2016 (1): 1–44. doi: 10.1007/JHEP01(2016)093.
Bulava, J., Della, Morte M., Heitger, J., and Wittemeier, C. 2016. “Nonperturbative renormalization of the axial current in N f=3 lattice QCD with Wilson fermions and a tree-level improved gauge action.” Physical Review D - Particles, Fields, Gravitation, and Cosmology 93 (11): 114513. doi: 10.1103/PhysRevD.93.114513.
Schulte, A, Janich, S, Würthwein, E.-U, Saito, S, and Wünsch, B. 2016. “Investigation of the Corey Bromolactamization with N-Functionalized Allylamines.” J. Heterocycl. Chem. 53: 1827–1837.
Keweloh, L, Klöcker, H, Würthwein, E.-U, and Uhl, W. 2016. “Ein P-H-funktionalisiertes Al/P-basiertes frustriertes Lewis-Paar: Substrataktivierung und selektiver Wasserstofftransfer.” Angew. Chem. 128: 3266–3269.
Wrobel, AJ, Lucchesi, R, Wibbeling, B, Daniliuc, C-G, Fröhlich, R, and Würthwein, E-U. 2016. “1,3,5-Triazapenta¬dienes by Nucleophilic Addition to 1,3- and 1,4- Dinitriles: Sterically Constrained Examples by Incorporation into Cyclic Peripheries: Synthesis, Aggregation, and Photophysical Properties.” J. Org. Chem. 81: 2849–2863.
Holtrichter-Rößmann, T, Häger, I, Daniliuc, C.-G., Fröhlich, R, Bergander, K, Troll, C, Rieger, B, Rojas, R.S., and Würthwein, E.-U. 2016. “Catalytically Active N-Acylamidine – Zirconium Complexes: Synthesis, Structures and Application in Ethylene Polymerization.” Organometallics 35: 1906–1915.
Bergner, G, Giudice, P, Montvay, I, Münster, G, and Piemonte, S. 2016. “The strong interactions beyond the standard model of particle physics.” in High Performance Computing in Science and Engineering, edited by S Wagner, A Bode, H Brüchle and M Brehm. München: Bayerische Akademie der Wissenschaften.
Bergner, G, Giudice, P, Montvay, I, Münster, G, and Piemonte, S. 2016. “Spectrum and mass anomalous dimension of SU(2) gauge theories with fermions in the adjoint representation: from Nf=1/2 to Nf=2.” in Proceedings of the 34th International Symposium on Lattice Field Theory (Lattice 2016), PoS(LATTICE2016)
Ali, S, Bergner, G, Gerber, H, Giudice, P, Montvay, I, Münster, G, and Piemonte, S. 2016. “Simulations of N=1 supersymmetric Yang-Mills theory with three colours.” in Proceedings of the 34th International Symposium on Lattice Field Theory (Lattice 2016), PoS(LATTICE2016)
Guzey, V., and Klasen, M. 2016. “Diffractive dijet photoproduction in ultraperipheral collisions at the LHC in next-to-leading order QCD.” Journal of High Energy Physics (JHEP) 2016 (4). doi: 10.1007/JHEP04(2016)158.
Guzey, V., and Klasen, M. 2016. “A fresh look at factorization breaking in diffractive photoproduction of dijets at HERA at next-to-leading order QCD.” European Physical Journal C: Particles and Fields 76 (8). doi: 10.1140/epjc/s10052-016-4304-5.
Esat, T., Lechtenberg, B., Deilmann, T., Wagner, C., Krüger, P., Temirov, R., Rohlfing, M., Anders, F., and Tautz, F. 2016. “A chemically driven quantum phase transition in a two-molecule Kondo system.” Nature Physics 12 (9): 867–873. doi: 10.1038/nphys3737.
Uhl, W., Wegener, P., Layh, M., Hepp, A., and Würthwein, E. 2016. “Reaction of an Al/P-based frustrated Lewis pair with benzophenone: Formation of adducts and aluminium alcoholates via ß-hydride elimination.” Zeitschrift für Naturforschung B - A Journal of Chemical Sciences 71 (10): 1043–1050. doi: 10.1515/znb-2016-0118.
Milk, R, Rave, S, and Schindler, F. 2016. “pyMOR - Generic algorithms and interfaces for model order reduction.” SIAM Journal on Scientific Computing 38 (5): S194–S216. doi: 10.1137/15M1026614.
Borisenko, A, Haidl, M, and Gorlatch, S. 2016. “A GPU parallelization of branch-and-bound for multiproduct batch plants optimization.” The Journal of Supercomputing 72: 1–13. doi: 10.1007/s11227-016-1784-x.
Lesch, V, Heuer, A, Holm, C, and Smiatek, J. 2016. “Properties of Apolar Solutes in Alkyl-Imidazolium Based Ionic Liquids: The Crucial Importance of Local Interactions.” ChemPhysChem 2016: 387–394.
Lesch, V, Li, Z, Bedrov, D, Borodin, O, and Heuer, A. 2016. “Influence of cation on lithium ion coordination and transport in ionic liquid electrolytes: A molecular dynamics simulation study.” Phys. Chem. Chem. Phys. 2016: 382–392.
Lesch, V, Heuer, A, Rad, BR, Winter, M, and Smiatek, J. 2016. “Atomistic insights into deep eutectic electrolytes: the influence of urea on the electrolyte salt LiTFSI in view of electrochemical applications.” Physical Chemistry Chemical Physics 41: 28403–28408. doi: 10.1039/C6CP04217A.
Uhl, W., Honacker, C., Hepp, A., Layh, M., and Würthwein, E. 2016. “σ-Bond Activation in Aluminium-Functionalized Alkynylchlorogermanes: Facile Insertion of Isocyanate and Azide into Al–C and Ge–Cl Bonds.” European Journal of Inorganic Chemistry 2016 (26): 4170–4178. doi: 10.1002/ejic.201600764.
Green, MFB, Wagner, C, Leinen, P, Deilmann, T, Krüger, P, Rohlfing, M, Tautz, FS, and Temirov, R. 2016. “Scanning quantum dot microscopy: A quantitative method to measure local electrostatic potential near surfaces.” Japanese Journal of Applied Physics 55 (8S1): 08NA04.. doi: 10.7567/JJAP.55.08NA04.
Bergner, G, Giudice, P, Montvay, I, Münster, G, and Piemonte, S. 2016. “The light bound states of supersymmetric SU(2) Yang-Mills theory.” Journal of High Energy Physics (JHEP) 2016 (03): 080. doi: 10.1007/JHEP03(2016)080.
Haidl, M, Hagedorn, B, and Gorlatch, S. 2016. “Programming GPUs with C++14 and Just-In-Time Compilation.” in Vol. 27 of Advances in Parallel Computing Amsterdam, Netherlands: IOP Publishing. doi: 10.3233/978-1-61499-621-7-247.
Haidl, M, Steuwer, M, Humernbrum, T, and Gorlatch, S. 2016. “Multi-Stage Programming for GPUs in Modern C++ using PACXX.” contribution to the The 9th Annual Workshop on General Purpose Processing Using Graphics Processing Unit, GPGPU '16, Barcelona, Spain New York, NY, USA: ACM Press. doi: 10.1145/2884045.2884049.
2015
Förster, T, Krüger, P, and Rohlfing, M. 2015. “Two-dimensional topological phases and electronic spectrum of Bi2Se3 thin films from GW calculations.” Physical Review B - Condensed Matter 92 (20): 201404.. doi: 10.1103/PhysRevB.92.201404.
Sinha, I, Hepp, A, Schirmer, B, Kösters, J, Neugebauer, J, and Müller, J. 2015. “Regioselectivity of the C-Metalation of 6-Furylpurine: Importance of Directing Effects.” Journal of the American Chemical Society 54: 4183–4185. doi: 10.1021/acs.inorgchem.5b00450.
Förster, T, Krüger, P, and Rohlfing, M. 2015. “Ab initio studies of adatom- and vacancy-induced band bending in Bi2Se3.” Physical Review B - Condensed Matter 91 (3): 035313.. doi: 10.1103/PhysRevB.91.035313.
Bergner, G, Giudice, P, Montvay, I, Münster, G, and Piemonte, S. 2015. “Influence of topology on the scale setting.” Eur. Phys. J. Plus 130: 229.
Bergner, G, Giudice, P, Montvay, I, Münster, G, and Piemonte, S. 2015. “The low-lying spectrum of N=1 supersymmetric Yang-Mills theory.” contribution to the EPS Conference on High-Energy Physics (EPS-HEP 2015), Wien
Bergner, G, Giudice, P, Montvay, I, Münster, G, and Piemonte, S. 2015. “Supermultiplets of the N=1 supersymmetric Yang-Mills theory in the continuum limit.” in Proceedings of the 33rd International Symposium on Lattice Field Theory (Lattice 2015), PoS(LATTICE 2015)
Bergner, G, Giudice, P, Münster, G, and Piemonte, S. 2015. “Witten index and phase diagram of compactified N=1 supersymmetric Yang-Mills theory on the lattice.” in Proceedings of the 33rd International Symposium on Lattice Field Theory (Lattice 2015), PoS(LATTICE 2015)
Choksuchat, C, Chantrapornchai, C, Haidl, M, and Gorlatch, S. 2015. “Accelerating Keyword Search for Large RDF Data on Many-Core Systems.” contribution to the The 14th International Conference on Intelligent Software Methodologies, Tools and Techniques, Naples, Italy
Borisenko, A, Haidl, M, and Gorlatch, S. 2015. “Parallelizing Branch-and-Bound on GPUs for Optimization of Multiproduct Batch Plants.” in Parallel Computing Technologies, Vol. 9251 of Lecture Notes in Computer Science, edited by Springer Cham: Springer. doi: 10.1007/978-3-319-21909-7_33.
Tussing, S., Greb, L., Tamke, S., Schirmer, B., Muhle-Goll, C., Luy, B., and Paradies, J. 2015. “Autoinduced catalysis and inverse equilibrium isotope effect in the frustrated lewis pair-catalyzed hydrogenation of imines.” Chemistry - A European Journal null (null). doi: 10.1002/chem.201500805.
Esat, T, Deilmann, T, Lechtenberg, B, Wagner, C, Krüger, P, Temirov, R, Anders, FB, Rohlfing, M, and Tautz, FS. 2015. “Transfering spin into an extended π orbital of a large molecule.” Phys. Rev. B 91: 144415.. doi: 10.1103/PhysRevB.91.144415.
Diddens, D, and Heuer, A. 2015. “Chain End Mobilities in Polymer Melts - A Computational Study.” J. Chem. Phys. 142: 014906.. doi: 10.1063/1.4905238.
Bulava, J., Morte, M., Heitger, J., and Wittemeier, C. 2015. “Non-perturbative improvement of the axial current in N<inf>f</inf>=3 lattice QCD with Wilson fermions and tree-level improved gauge action.” Nuclear Physics B 896: 555–568. doi: 10.1016/j.nuclphysb.2015.05.003.
Uhl, W, Wegener, P., and Würthwein, E.-U. 2015. “Dehydrochlorination of Carboxylic Acid Chlorides by an Aluminium/Phosphorus-Based Frustrated Lewis Pair and the Formation of Ketene Adducts.” Z. Anorg. Allgem. Chem. 641: 2102–2108.
Bergner, G, Giudice, P, Montvay, I, Münster, G, and Piemonte, S. 2015. “Lattice simulations of technicolour theories with adjoint fermions and supersymmetric Yang-Mills theory.” in Proceedings of the 33rd International Symposium on Lattice Field Theory (Lattice 2015), PoS(LATTICE 2015)
Lesch, V, Heuer, A, Tatsis, VA, Holm, C, and Smiatek, J. 2015. “Peptides in Presence of Aqueous Ionic Liquids:Tunable Co-Solutes as Denaturants or Protectants?” Phys. Chem. Chem. Phys. 2015: 26049–26053.
Böckmann, M, Schemme, T, de Jong, DH, Denz, C, Heuer, A, and Doltsinis, NL. 2015. “Structure of P3HT crystals, thin films, and solutions by UV/Vis spectral analysis.” Phys. Chem. Chem. Phys. 2015.
Chattoraj, J, Knappe, M, and Heuer, A. 2015. “Dependence of Ion Dynamics on the Polymer Chain Length in Poly(Ethylene Oxide)-Based Polymer Electrolytes.” J. Phys. Chem. B 2015: 6786–6791.
Lesch, V, Heuer, A, Holm, C, and Smiatek, J. 2015. “Solvent effects of 1-ethyl-3-methylimidazolium acetate: Solvation and dynamic behavior of polar and apolar solutes.” Phys. Chem. Chem. Phys. 2015: 8480–8490.
Wagner, C., Green, M., Leinen, P., Deilmann, T., Krüger, P., Rohlfing, M., Temirov, R., and Tautz, F. 2015. “Scanning Quantum Dot Microscopy.” Physical Review Letters 115 (2). doi: 10.1103/PhysRevLett.115.026101.
2014
Wagner, C., Fournier, N., Ruiz, V.G., Li, C., Müllen, K., Rohlfing, M., Tkatchenko, A., Temirov, R., and and, Tautz F.S. 2014. “Non-additivity of molecule-surface van der Waals potentials from force measurements.” Nature Communications 5: 5568. doi: 10.1038/ncomms6568.
Steuwer, Michel, Haidl, Michael, Breuer, Stefan, and Gorlatch, Sergei. 2014. “High-Level Programming of Stencil Computations on Multi-GPU Systems using the SkelCL Library.” Parallel Processing Letters 24 (03): 1441005. doi: 10.1142/S0129626414410059.
Smiatek, J, Janssen-Mueller, D, Friedrich, R, and Heuer, A. 2014. “Systematic detection of hidden complexities in the unfolding mechanism of a cytosine-rich DNA strand.” Physica A 394: 136–144..
Lesch, V, Jeremias, S, Moretti, A, Passerini, S, Heuer, A, and Borodin, OA. 2014. “Combined Theoretical and Experimental Study of the Influence of Different Anion Ratios on Lithium Ion Dynamics in Ionic Liquids.” J. Phys. Chem. B 118: 7367–7375.
Smiatek, J, and Heuer, A. 2014. “Deprotonation mechanism of a single-stranded DNA i-motif.” RSC Advances 4: 17110–17113.
Hakobyan, D, and Heuer, A. 2014. “Key Molecular Requirements for Raft Formation in Lipid/Cholesterol Membranes.” PloS one 9 (2): e87369..
Diddens, D, and Heuer, A. 2014. “Simulation Study of the Lithium Ion Transport Mechanism in Ternary Polymer Electrolytes: The Critical Role of the Segmental Mobility,.” Phys. Chem. B 118: 1113–1125.
Bergner, G, Giudice, P, Montvay, I, Münster, G, Özugurel, U, Piemonte, S, and Sandbrink, D. 2014. “Latest lattice results of N=1 supersymmetric Yang-Mills theory with some topological insights.” in Proceedings of the 32nd International Symposium on Lattice Field Theory "Lattice 2014", PoS(LATTICE2014)
Bergner, G, Giudice, P, Münster, G, Piemonte, S, and Sandbrink, D. 2014. “First studies of the phase diagram of N=1 supersymmetric Yang-Mills theory.” in Proceedings of the 32nd International Symposium on Lattice Field Theory "Lattice 2014", PoS(LATTICE2014)
Bergner, G, Giudice, P, Münster, G, Piemonte, S, and Sandbrink, D. 2014. “Phase structure of the N=1 supersymmetric Yang-Mills theory at finite temperature.” Journal of High Energy Physics (JHEP) 2014 (11): 049. doi: 10.1007/JHEP11(2014)049.
Dütsch, Fabian, Djelassi, Karim, Haidl, Michael, and Gorlatch, Sergei. 2014. “HLSF: A High-Level, C++-Based Framework for Stencil Computations on Accelerators.” contribution to the Second Workshop on Optimizing Stencil Computations WOSC'14 at SPLASH 14, Portland New York: ACM Press. doi: 10.1145/2686745.2686751.
Haidl, Michael, and Gorlatch, Sergei. 2014. “PACXX: Towards a Unified Programming Model for Programming Accelerators using C++14.” in LLVM-HPC '14 Proceedings of the 2014 LLVM Compiler Infrastructure in HPC Piscataway, NJ, USA: Wiley-IEEE Press. doi: 10.1109/LLVM-HPC.2014.9.
Carnein, Matthias, Schöttle, Pascal, and Böhme, Rainer. 2014. “Predictable Rain? Steganalysis of Public-key Steganography Using Wet Paper Codes.” in Proceedings of the 2nd ACM Workshop on Information Hiding and Multimedia Security (IH & MMSec '14), edited by Andreas Unterweger, Andreas Uhl, Stefan Katzenbeisser, Roland Kwitt and Alessandro Piva. New York, NY, USA: ACM Press. doi: 10.1145/2600918.2600942.
Quiring, Erwin, and Schöttle, Pascal. 2014. “On the Combination of Randomized Thresholds and Non-Parametric Boundaries to Protect Digital Watermarks against Sensitivity Attacks.” in IH&MMSec 14 Proceedings of the 2014 ACM Information Hiding and Multimedia Security Workshop ACM Press.
Gorlatch, Sergei, and Steuwer, Michel. 2014. “Towards High-Level Programming for Systems with Many Cores.” in Perspectives of Systems Informatics - 9th International Andrei Ershov Memorial Conference, PSI 2014, Lecture Notes in Computer Schience, edited by Alexander Marchuk and Andrey Terekhov. Springer.
Steuwer, Michel, and Gorlatch, Sergei. 2014. “SkelCL: a high-level extension of OpenCL for multi-GPU systems.” The Journal of Supercomputing 69 (1): 25–33. doi: 10.1007/s11227-014-1213-y.
Deilmann, T., Kruger, P., Rohlfing, M., and Wegner, D. 2014. “Adsorption and STM imaging of tetracyanoethylene on Ag(001): An ab initio study.” Physical Review B 89 (4). doi: 10.1103/PhysRevB.89.045405.
Bergner, G, Montvay, I, Münster, G, Özugurel, U, and Sandbrink, D. 2014. “Numerical simulation of supersymmetric Yang-Mills theory.” in Proceedings of the NIC Symposium 2014, Vol. 47 of NIC Series Jülich.
Chattoraj, J, Diddens, D, and Heuer, A. 2014. “Effects of ionic liquids on cation dynamics in amorphous polyethylene oxide electrolytes.” The Journal of Chemical Physics 140 (2): 024906..
Breuer, Stefan, Steuwer, Michel, and Gorlatch, Sergei. 2014. “Extending the SkelCL Skeleton Library for Stencil Computations on Multi-GPU Systems.” in Proceedings of the 1st International Workshop on High-Performance Stencil Computations, edited by A Größlinger and H Köstler. Wien: International Workshop on High-Performance Stencil Computations.
Bulava, J., Della, Morte M., Heitger, J., and Wittemeier, C. 2014. “Non-perturbative improvement and renormalization of the axial current in N_f=3 lattice QCD.” in LATTICE 2014, Vol. LATTICE2014 of Proceedings of Science Proceedings of Science.
Steuwer, Michel, Friese, Malte, Albers, Sebastian, and Gorlatch, Sergei. 2014. “Introducing and Implementing the Allpairs Skeleton for Programming Multi-GPU Systems.” International Journal of Parallel Programming 42 (4): 601–618. doi: 10.1007/s10766-013-0265-6.
2013
Jiang, Y, Schirmer, B, Blacque, O, Fox, T, Grimme, S, and Berke, H. 2013. “The "Catalytic Nitrosyl Effect’ —NO Bending Boosting the Efficiency of Rhenium Based Alkene Hydrogenations.” Journal of the American Chemical Society 135 (10): 4088–4102. doi: 10.1021/ja400135d.
Schirmer, B, and Grimme, S. 2013. “Quantum Chemistry of FLPs and Their Activation of Small Molecules: Methodological Aspects.” in Frustrated Lewis Pairs I, Topics in Current Chemistry, edited by G Erker and DW Stephan. Springer VDI Verlag. doi: 10.1007/128_2012_389.
Smiatek, J, Harishchandra, RK, Galla, H-J, and Heuer, A. 2013. “Low concentrated hydroxyectoine solutions in presence of DPPC lipid bilayers: A computer simulation study.” Biophysical Chemistry 180-181: 102–109..
Bulava, J, Della, Morte M, Heitger, J, and Wittemeier, C. 2013. “Determination of c_A in three-flavour lattice QCD with Wilson fermions and tree-level improved gauge action.” in LATTICE 2013, Vol. LATTICE2013 of Proceedings of Science Proceedings of Science.
Bergner, G, Montvay, I, Münster, G, Özugurel, U, and Sandbrink, D. 2013. “N=1 supersymmetric Yang-Mills theory on the lattice.” in Proceedings of the 31th International Symposium on Lattice Field Theory "Lattice 2013", Vol. PoS(LATTICE 2013)
Bergner, G, Montvay, I, Münster, I, Özugurel, U, and Sandbrink, U. 2013. “Towards the spectrum of low-lying particles in supersymmetric Yang-Mills theory.” Journal of High Energy Physics (JHEP) 2013 (11): 061. doi: 10.1007/JHEP11(2013)061.
Ernst-Hullermann, J, Harder, H, and Hansen, U. 2013. “Finite volume simulations of dynamos in ellipsoidal planets.” Geophys. J. Int. 195: 1395–1405. doi: 10.1093/gji/ggt303.
Kegel, Philipp, Steuwer, Michel, and Gorlatch, Sergei. 2013. “dOpenCL: Towards uniform programming of distributed heterogeneous multi-/many-core systems.” Journal of Parallel and Distributed Computing 73 (12): 1639–1648. doi: 10.1016/j.jpdc.2013.07.021.
Kegel, Philipp. 2013. “A Uniform, OpenCL-based Approach for Programming Distributed Systems With Multicores and GPUs.” Dissertation thesis, University of Münster.
Greb, L, Tussing, S, Schirmer, B, Ona-Burgos, P, Kaupmees, K, Lokov, M, Leito, I, Grimme, S, and Paradies, J. 2013. “Electronic effects of triarylphosphines in metal-free hydrogen activation: a kinetic and computational study.” Chemical science ASAP: –.. doi: 10.1039/C3SC50347J.
Steuwer, Michel, and Gorlatch, Sergei. 2013. “SkelCL: Enhancing OpenCL for High-Level Programming of Multi-GPU Systems.” in Parallel Computing Technologies - 12th International Conference (PaCT 2013), Vol. 7979 of Lecture Notes in Computer Science, edited by Malyshkin Victor Springer. doi: 10.1007/978-3-642-39958-9_24.
Kegel, Philipp, Steuwer, Michel, and Gorlatch, Sergei. 2013. “Uniform High-Level Programming of Many-Core and Multi-GPU Systems.” in Transition of HPC Towards Exascale Computing, Vol. 24 of Advances in Parallel Computing, edited by Erik D'Hollander, Jack Dongarra, Ian Foster, Lucio Grandinetti and Gerhard Joubert. IOS Press. doi: 10.3233/978-1-61499-324-7-159.
Steuwer, Michel, and Gorlatch, Sergei. 2013. “High-Level Programming for Medical Imaging on Multi-GPU Systems using the SkelCL Library.” Procedia Computer Science 18: 749–758. doi: 10.1016/j.procs.2013.05.239.
Hirtz, M, Kumar, N, Franke, JH, Hao, J, Lu, N, Fuchs, H, and Chi, LF. 2013. “Selective deposition of organic molecules onto DPPC templates-a molecular dynamics study.” Journal of Colloid and Interface Science 389 (1): 206–212. doi: 10.1016/j.jcis.2012.09.024.
2012
Papenkort, T, Axt, VM, and Kuhn, T. 2012. “Optical excitation of squeezed longitudinal optical phonon states in an electrically biased quantum well.” Physical Review B 85 (23): 235317. doi: 10.1103/PhysRevB.85.235317.
Bergner, G, Berheide, T, Münster, G, Özugurel, UD, Sandbrink, D, and Montvay, I. 2012. “The gluino-glue particle and finite size effects in supersymmetric Yang-Mills theory.” Journal of High Energy Physics (JHEP) 2012 (9): 108–124. doi: 10.1007/JHEP09/282012/29108.
Fuks, B, Klasen, M, Lamprea, DR, and Rothering, M. 2012. “Gaugino production in proton-proton collisions at a center-of-mass energy of 8 TeV.” Journal of High Energy Physics (JHEP) 2012 (10). doi: 10.1007/JHEP10(2012)081.
Klasen, M, Kovařík, K, Nason, P, and Weydert, C. 2012. “Associated production of charged Higgs bosons and top quarks with POWHEG.” European Physical Journal C: Particles and Fields 72 (9): –.. doi: 10.1140/epjc/s10052-012-2088-9.
Soltwisch, J, Jaskolla, TW, Hillenkamp, F, Karas, M, and Dreisewerd, K. 2012. “Ion Yields in UV-MALDI Mass Spectrometry As a Function of Excitation Laser Wavelength and Optical and Physico-Chemical Properties of Classical and Halogen-Substituted MALDI Matrixes.” Analytical Chemistry 84 (15): 6567–76. doi: 10.1021/ac3008434.
Jezo, T, Klasen, M, and Schienbein, I. 2012. “LHC phenomenology of general SU(2)xSU(2)xU(1) models.” Physical Review D - Particles, Fields, Gravitation, and Cosmology 86 (3): –.. doi: 10.1103/PhysRevD.86.035005.
Fuks, B, Herrmann, B, and Klasen, M. 2012. “Phenomenology of anomaly-mediated supersymmetry-breaking scenarios with nonminimal flavor violation.” Physical Review D - Particles, Fields, Gravitation, and Cosmology 86 (1): –.. doi: 10.1103/PhysRevD.86.015002.
Schöttle, Pascal, Korff, Stefan, and Böhme, Rainer. 2012. “Weighted Stego-Image Steganalysis for Naive Content-Adaptive Embedding.” contribution to the IEEE International Workshop on Information Forensics and Security (WIFS), Teneriffa
Kegel, Philipp, Steuwer, Michel, and Gorlatch, Sergei. 2012. “dOpenCL: Towards a uniform programming approach for distributed heterogeneous multi-/many-core systems.” in Proceedings of the 2012 IEEE 26th International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2012 Wiley-IEEE Computer Society Press. doi: 10.1109/IPDPSW.2012.16.
Steuwer, Michel, Gorlatch, Sergei, Buß, Matthias, and Breuer, Stefan. 2012. “Using the SkelCL Library for High-Level GPU Programming of 2D Applications.” in Euro-Par 2012: Parallel Processing Workshops - BDMC, CGWS, HeteroPar, HiBB, OMHI, Paraphrase, PROPER, Resilience, UCHPC, VHPC, Rhodes Islands, Greece, August 27-31, 2012. Revised Selected Papers, Vol. 7640 of Lecture Notes in Computer Science, edited by Ioannis Caragiannis, Michael Alexander, Rosa M. Badia, Mario Cannataro, Alexandru Costan, Marco Danelutto, Frederic Desprez, Bettina Krammer, Julio Sahuquillo, Stephen L. Scott and Josef Weidendorfer. Rhodes Islands, Greece: Springer. doi: 10.1007/978-3-642-36949-0_41.
Steuwer, Michel, Kegel, Philipp, and Gorlatch, Sergei. 2012. “A High-Level Programming Approach for Distributed Systems with Accelerators.” in New Trends in Software Methodologies, Tools and Techniques - Proceedings of the Eleventh SoMeT '12, edited by Hamido Fujita and Roberto Revetria. Amsterdam: IOS Press. doi: 10.3233/978-1-61499-125-0-430.
Michel, K., Glotzbach, C., Fröhlich, R., and Würthwein, E.-U. 2012. “[1,4]Dithiepino[2,3-b]furans from Oxiranyl Carbaldimines and Lithiated 1,3-Dithiane: A Series of Rearrangement Reactions in One Pot.” Eur. J. Org. Chem. 2012: 960–966. doi: 10.1002/ejoc.201101323.
Clodt, J.I., Fröhlich, R., Eul, M., and Würthwein, E.-U. 2012. “Metallomacrocyclic Complexes by Self-assembly of NiII and CuII Ions and Chelating Bis(N-acylamidines).” Eur. J. Inorg. Chem. 2012: 1210–1217. doi: 10.1002/ejic.201101350.
Uhl, W., Heller, D., Kösters, J., Würthwein, E.-U., and Ghavtadze, N. 2012. “Hydroalumination of Bis(alkynyl)-silanes, Generation of Chelating Lewis-Acids, Their Application in the Coordination of Chloride Ions and a 1,1-Carbalumination Reaction.” Eur. J. Inorg. Chem. 2012: 1359–1368. doi: 10.1002/ejic.201100890.
Neue, B., Fröhlich, R., Wibbeling, B., Fukazawa, A., Wakamiya, A., Yamaguchi, S., and Würthwein, E.-U. 2012. “Synthesis and Photophysical Properties of Aryl Substituted 2-Borylbenzaldimines and their Extended π-Conjugated Congeners.” J. Org. Chem. 77: 2176–2184. doi: 10.1021/jo202212sl.
Holtrichter-Rößmann, T., Rösener, C., Hellmann, J., Uhl, W., Würthwein, E.-U., Fröhlich, R., and Wibbeling, B. 2012. “Generation of Weakly Bound Al-N Lewis-Pairs by Hydroalumination of Ynamines and the Activation of Small Molecules: Phenylethyne and Dicyclohexylcarbodiimide.” Organometallics 31: 3272–3283. doi: 10.1021/om3001179.
Bergner, G, Montvay, I, Münster, G, Özugurel, UD, and Sandbrink, D. 2012. “The gluino-glue particle and relevant scales for the simulations of supersymmetric Yang-Mills theory.” in Proceedings of the 30th International Symposium on Lattice Field Theory "Lattice 2012", Vol. PoS(Lattice 2012)
Ernsting, Steffen, and Kuchen, Herbert. 2012. “Algorithmic skeletons for multi-core, multi-GPU systems and clusters.” International Journal of Oil, Gas and Coal Technology 7 (2): 129–138. doi: 10.1504/IJHPCN.2012.046370.
Ernsting, Steffen, and Kuchen, Herbert. 2012. “Data Parallel Skeletons in Java.” Procedia Computer Science 9: 1817–1826. doi: 10.1016/j.procs.2012.04.200.
Drohmann, M, Haasdonk, B, and Ohlberger, M. 2012. “Reduced Basis Approximation for Nonlinear Parametrized Evolution Equations based on Empirical Operator Interpolation.” SIAM Journal on Scientific Computing 34: A937–A969.. doi: 10.1137/10081157X.
Linden, S, Zhong, D, Timmer, A, Aghdassi, N, Franke, J, Zhang, H, Feng, X, Müllen, K, Fuchs, H, Chi, LF, and Zacharias, H. 2012. “Electronic Structure of Spatially Aligned Graphene Nanoribbons on Au(788).” Physical Review Letters 108 (21): 216801–216805. doi: 10.1103/PhysRevLett.108.216801.
Eich, S.M., Kaprzak, M., Gusak, A., and Schmitz, G. 2012. “On the mechanism of diffusion-induced recrystallization: Comparison between experiment and molecular dynamics simulations.” Acta Materialia 60 (8): 3469–3479. doi: 10.1016/j.actamat.2012.03.009.
Kessler, Christoph, Gorlatch, Sergei, Enmyren, Johan, Dastgeer, Usman, Steuwer, Michel, and Kegel, Philipp. 2012. “Skeleton Programming for Portable Many-Core Computing.” in Programming Multi-core and Many-core Computing Systems, Parallel and Distributed Computing, edited by Sabri Pllana and Fatos Xhafa. Wiley-Blackwell.
Steuwer, Michel, Kegel, Philipp, and Gorlatch, Sergei. 2012. “Towards High-Level Programming of Multi-GPU Systems Using the SkelCL Library.” in Proceedings of the 2012 IEEE 26th International Parallel and Distributed Processing Symposium Workshops, IPDPSW 2012, edited by IEEE Shanghai: Wiley-IEEE Press. doi: 10.1109/IPDPSW.2012.229.
King, E.M., Stellmach, S., and Aurnou, J.M. 2012. “Heat Transfer by Rapidly Rotating Rayleigh-Bénard Convection.” Journal of Fluid Mechanics 691: 568–582. doi: 10.1017/jfm.2011.493.
Ernsting, Steffen, and Kuchen, Herbert. 2012. “Data Parallel Skeletons for GPU Clusters and Multi-GPU Systems.” contribution to the Parallel Conference 2011 (ParCo11), Gent, Belgien
2011
Debove, J, Fuks, B, and Klasen, M. 2011. “Threshold resummation for gaugino pair production at hadron colliders.” Nuclear Physics B 842 (1): 51–85. doi: 10.1016/j.nuclphysb.2010.08.016.
Debove, J, Fuks, B, and Klasen, M. 2011. “Joint resummation for gaugino pair production at hadron colliders.” Nuclear Physics B 849 (1): 64–79. doi: 10.1016/j.nuclphysb.2011.03.015.
Herrmann, B, Klasen, M, and Le Boulc'h, Q. 2011. “Impact of squark flavor violation on neutralino dark matter.” Physical Review D - Particles, Fields, Gravitation, and Cosmology 84 (9): –.. doi: 10.1103/PhysRevD.84.095007.
Klasen, M, and Kramer, G. 2011. “Dijet photoproduction of massless charm jets at next-to-leading order of QCD.” European Physical Journal C: Particles and Fields 71 (10): –.. doi: 10.1140/epjc/s10052-011-1774-3.
Steuwer, Michel, Kegel, Philipp, and Gorlatch, Sergei. 2011. “SkelCL - A Portable Skeleton Library for High-Level GPU Programming.” in 2011 IEEE International Symposium on Parallel and Distributed Processing Workshops and Phd Forum (IPDPSW) Wiley-IEEE Press. doi: 10.1109/IPDPS.2011.269.
Kegel, Philipp, Schellmann, Maraike, and Gorlatch, Sergei. 2011. “Comparing Programming Models for Medical Imaging on Multi-Core Systems.” Concurrency and Computation: Practice and Experience 23 (10): 1051–1065. doi: 10.1002/cpe.1671.
Borisenko, Andrey, Kegel, Philipp, and Gorlatch, Sergei. 2011. “Optimal Design of Multiproduct Batch Plants Using a Parallel Branch-and-Bound Method.” contribution to the PaCT 2011, Kanzan, Rusia
Drohmann, M, Haasdonk, B, and Ohlberger, M. 2011. “Adaptive Reduced Basis Methods for Nonlinear Convection-Diffusion Equations.” in Finite Volumes for Complex Applications VI - Problems & Perspectives, Vol. 4 (1) of Springer Proceedings in Mathematics, edited by Fort J. et al. Springer. doi: 10.1007/978-3-642-20671-9_39.
Bergner, G, Montvay, I, Münster, G, Özugurel, U, and Sandbrink, D. 2011. “Supersymmetric Yang-Mills theory: a step towards the continuum.” in Proceedings of the XXIX International Symposium on Lattice Field Theory "Lattice 2011", Vol. PoS(Lattice 2011)
2010
Garaud, P, Ogilvie, GI, Miller, N, and Stellmach, S. 2010. “A model of the entropy flux and Reynolds stress in turbulent convection.” Monthly Notices of the Royal Astronomical Society 407 (4): 2451–2467. doi: 10.1111/j.1365-2966.2010.17066.x.
Papenkort, T, Kuhn, T, and Axt, VM. 2010. “Resonant generation of coherent LO phonons by charge oscillations in a biased quantum well.” Physical Review B 81 (20): 205320. doi: 10.1103/PhysRevB.81.205320.
Stephan, S, and Hansen, U. 2010. “Turbulent Rotating Rayleigh-Bénard Convection.” IAS Series 33: 305–312.
2009
Zhong, DY, Franke, J, Blömker, T, Erker, G, Chi, LF, and Fuchs, H. 2009. “Manipulating Surface Diffusion Ability of Single Molecules by Scanning Tunneling Microscopy.” Nano Letters 9 (1): 132–136. doi: 10.1021/nl802677c.
King, EM, Stellmach, S, Noir, J, Hansen, U, and Aurnou, JM. 2009. “Boundary layer control of rotating convection systems.” Nature 457 (7227): 301–304. doi: 10.1038/nature07647.
Johannes, Wicht, and Stephan, Stellmach und Helmut Harder. 2009. “Numerical Models of the Geodynamo: From Fundamental Cartesian Models to 3D Simulations of Field Reversals.” in GEOMAGNETIC FIELD VARIATIONS, Advances in Geophysical and Environmental Mechanics and Mathematics, edited by Glassmeier Karl-Heinz, Soffel Heinrich and F.W. Negendank Jörg. Berlin Heidelberg: Springer VDI Verlag. doi: 10.1007/978-3-540-76939-2_4.
2008
Franke, JH, Caciuc, V, Chi, LF, and Fuchs, H. 2008. “Adsorption and bonding mechanism of a N,N-'-di(n-butyl)quinacridone monolayer studied by density functional theory including semiempirical dispersion corrections.” Physical Review B 78 (16). doi: 10.1103/PhysRevB.78.165432.
Stellmach, S, and Hansen, U. 2008. “An efficient spectral method for the simulation of dynamos in Cartesian geometry and its implementation on massively parallel computers.” Geochemistry, Geophysics, Geosystems 9. doi: 10.1029/2007GC001778.
Meyer, K, Raker, T, Niedernostheide, FJ, and Kuhn, T. 2008. “Hydrodynamic modeling of charge carrier transport and transverse pattern formation in ZnS : Mn thin-film electroluminescent structures.” Physical Review B 77 (4): 045321. doi: 10.1103/PhysRevB.77.045321.
2007
Papenkort, T, Axt, VM, and Kuhn, T. 2007. “Coherent dynamics and pump-probe spectra of BCS superconductors.” Physical Review B 76 (22): 224522. doi: 10.1103/PhysRevB.76.224522.
2006
Meyer, K, Raker, T, Niedernostheide, F-J, and Kuhn, T. 2006. “Hydrodynamic and drift-diffusion modelling of charge carrier transport in ZnS:Mn thin-film electroluminescent structures.” Semiconductor Science and Technology 21 (4): 565–574. doi: 10.1088/0268-1242/21/4/025.
Hoink, T, Schmalzl, J, and Hansen, U. 2006. “Dynamics of metal-silicate separation in a terrestrial magma ocean.” Geochemistry, Geophysics, Geosystems 7. doi: 10.1029/2006GC001268.
2005
Hoink, T, Schmalzl, J, and Hansen, U. 2005. “Formation of compositional structures by sedimentation in vigorous convection.” Physics of the Earth and Planetary Interiors 153 (1-3): 11–20. doi: 10.1016/j.pepi.2005.03.014.
2004
Stellmach, S, and Hansen, U. 2004. “Cartesian convection driven dynamos at low Ekman number.” Physical Review E - Statistical, nonlinear, and soft matter physics 70 (5). doi: 10.1103/PhysRevE.70.056312.
Harder, H, Stellmach, S., and Hansen, U. 2004. “Magnetohydrodynamic Simulations of the Geodynamo.” NIC Series 20: 389–398.
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