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High Performance Computing

Service: Scientific high-performance computing enables you to solve highly complex problems numerically for which normal computers are no longer sufficient. The PALMA II supercomputer is available for your research. More information is available in the WWU Confluence.

Target Group: employees and students who are a member of a work group

Usage Costs: free of charge

Contact: hpc@uni-muenster.de

  • 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

  • Quick Reference Card to Get Started with PALMA

    Quick Reference Card to Get Started with PALMA (PDF)

  • Publications

    • Wolff, Reinhard; Hetzel, Ralf; Hölzer, Kyra; Dunkl, Istvan; Xu, Qiang; Anczkiewicz, Aneta; Li, Zhenyu. . ‘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.
    • Ludwig, Marvin; Moreno-Martinez, Alvaro; Hölzel, Norbert; Pebesma, Edzer; Meyer, Hanna. . ‘Assessing and improving the transferability of current global spatial prediction models.’ Global Ecology and Biogeography 00: 1–13. doi: https://doi.org/10.1111/geb.13635.
    • 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, Hull PM. . ‘North Atlantic Drift Sediments Constrain Eocene Tidal Dissipation and the Evolution of the Earth‐Moon System.’ Paleoceanography and Paleoclimatology 38, No. 2. doi: 10.1029/2022pa004555.
    • Wenzel, Tizian; Haasdonk, Bernard; Kleikamp, Hendrik; Ohlberger, Mario; Schindler, Felix. . Application of Deep Kernel Models for Certified and Adaptive RB-ML-ROM Surrogate Modeling arXiv. doi: 10.48550/ARXIV.2302.14526. [submitted / under review]
    • Ohlberger, M.; Banholzer, S.; Haasdonk, B.; Keil, T., Kleikamp, H.; Mechelli, L.; Oguntola, M;, Schindler,F.; Volkwein, S.; Wenzel, T. . ‘Model Reduction and Learning for PDE Constrained Optimization.’ Contributed to the Oberwolfach Workshop on Optimization Problems for PDEs in Weak Space-Time Form, Oberwolfach. [submitted / under review]

    • Banholzer S, Keil T, Mechelli L, Ohlberger M, Schindler F, Volkwein S. . ‘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, No. 5: 1561–1596.
    • Wolff R, Hölzer K, Hetzel R, Xu Q, Dunkl I. Anczkiewicz AA, Li Z. . ‘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, Meyer H. . ‘Nearest neighbour distance matching leave-one-out cross-validation for map validation.’ Methods in Ecology and Evolution n/a. doi: 10.1111/2041-210X.13851.
    • Blossier B., Cahue P.-H., Heitger J., La Cesa S., Neuendorf J., Zafeiropoulos S. . ‘On the extraction of B_s to D^(*)_s form factors from N_f=2 lattice QCD.’ Phys. Rev. D 105, No. 5: 054515. doi: 10.1103/PhysRevD.105.054515.
    • Raghuraman S, Schubert A S, Bröker S, Jurado A, Müller A, Brandt M, Vos B E, Hofemeier A D, Abbasi F, Stehling M, Wittkowski R, Ivaska J, Betz T. . ‘Pressure drives rapid burst-like coordinated cellular motion from 3D cancer aggregates.’ Advanced Science 9, No. 6: 2104808. doi: 10.1002/advs.202104808.
    • Leibner Tobias. . Model reduction for kinetic equations: moment approximations and hierarchical approximate proper orthogonal decomposition Dissertation thesis, Universität Münster.
    • Kleine Bardenhorst S, Vital M, Karch A, Rübsamen N. . ‘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.
    • Voß J, Wittkowski R. . ‘Acoustically propelled nano- and microcones: fast forward and backward motion.’ Nanoscale Advances 4, No. 1: 281–293. doi: 10.1039/D1NA00655J.
    • Bohl, Martin T.; Branger, Nicole; Trede, Mark. . ‘Measurement Errors in Index Trader Positions Data: Is the Price Pressure Hypothesis Still Invalid?’ Applied Economic Perspectives and Policy 44, No. 3: 1534–1553. doi: 10.1002/aepp.13186.
    • Strieth-Kalthoff, Felix; Sandfort,Frederik; Kühnemund,Marius; Schäfer,Felix R.; Kuchen,Herbert; Glorius,Frank. . ‘Machine Learning for Chemical Reactivity: The Importance of Failed Experiments.’ Angewandte Chemie International Edition . doi: 10.1002/anie.202204647. [accepted / in press (not yet published)]
    • Timmerkamp, Maximilian; Lüpken, Niklas M.; Abazi, Shiqiprim Adrian; Bankwitz, Julian Rasmus; Schuck, Carsten; Fallnich, Carsten. . ‘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 Helfenstein, P, 02024. Les Ulis: EDP Sciences. doi: 10.1051/epjconf/202226702024.
    • Singh, A; Thale, S; Leibner, T; Ricker, A; Nüsse, H; Klingauf, J; Ohlberger, M; Matis, M. . ‘Dynamic interplay of protrusive microtubule and contractile actomyosin forces drives tissue extension.’ eLife 2022. doi: 10.1101/2022.06.21.496930. [submitted / under review]
    • Kirchhoff, Alexander; Deilmann, Thorsten; Krüger, Peter; Rohlfing, Michael. . ‘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.
    • Maisuls I; Boisten F; Hebenbrock M; Alfke J; Schürmann L; Jasper-Peter B; Hepp A; Esselen M; Müller J; Strassert CA. . ‘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: 9195–9204. doi: 10.1021/acs.inorgchem.2c00753.
    • Czuppon, Peter; Billiard, Sylvain. . ‘Revisiting the number of self-incompatibility alleles in finite populations: From old models to new results.’ Journal of Evolutionary Biology 35, No. 10: 1296–1308. doi: https://doi.org/10.1111/jeb.14061.
    • Nyenhuis M; Schönrath I; Kamzeeva PN; Zatsepin TS; Müller J; Doltsinis N; Aralov AV. . ‘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; Faldum, Andreas; Schmidt Rene. . ‘On Variance Estimation for the One-Sample Log-Rank Test.’ Statistics in Biopharmaceutical Research 2022. doi: 10.1080/19466315.2022.2081600.
    • Danzer, Moritz Fabian; Feld, Jannik; Faldum, Andreas; Schmidt, Rene. . ‘Reference curve sampling variability in one–sample log–rank tests.’ PLoS ONE 17, No. 7: e0271094. doi: 10.1371/journal.pone.0271094.
    • Voß, Johannes; Wittkowski, Raphael. . ‘Orientation-dependent propulsion of triangular nano- and microparticles by a traveling ultrasound wave.’ ACS Nano 16, No. 3: 3604–3612. doi: 10.1021/acsnano.1c02302.
    • Voß, Johannes; Wittkowski, Raphael. . ‘Propulsion of bullet- and cup-shaped nano- and microparticles by traveling ultrasound waves.’ Physics of Fluids 34, No. 5: 052007. doi: 10.1063/5.0089367.
    • Bickmann, Jens; Bröker, Stephan; Jeggle, Julian; Wittkowski, Raphael. . ‘Analytical approach to chiral active systems: suppressed phase separation of interacting Brownian circle swimmers.’ Journal of Chemical Physics 156, No. 19: 194904. doi: 10.1063/5.0085122.
    • Nitschke, Tobias; Stenhammar, Joakim; Wittkowski, Raphael. . ‘Collective guiding of acoustically propelled nano- and microparticles.’ Nanoscale Advances 4, No. 13: 2844–2856. doi: 10.1039/D2NA00007E.
    • Voß, Johannes; Wittkowski, Raphael. . ‘Acoustic propulsion of nano- and microcones: dependence on the viscosity of the surrounding fluid.’ Langmuir 38, No. 35: 10736–10748. doi: 10.1021/acs.langmuir.2c00603.
    • te Vrugt, M; Holl, M P; Koch, A; Wittkowski, R; Thiele, U. . ‘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, No. 8: 084001. doi: 10.1088/1361-651X/ac856a.
    • Butz, Marco; Abazi, Adrian S.; Ross, Rene; Risse, Benjamin; Schuck, Carsten. . ‘Inverse Design of Nanophotonic Devices using Dynamic Binarization.’ Optics Express arXiv:2211.10416. doi: 10.48550/arXiv.2211.10416. [accepted / in press (not yet published)]
    • Bergner, G; Münster, G; Piemonte, S. . ‘Exploring gauge theories with adjoint matter on the lattice.’ universe 8: 617. doi: 10.3390/universe8120617.
    • Weyer, Rita; Hellmann, Margareta J.; Hamer-Timmermann, Stefanie N.; Singh, Ratna; Moerschbacher, Bruno M. . ‘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.
    • Krawitz, J; Schukajlow, S; Kanefke, J; Rakoczy, K. . ‘Making realistic assumption in mathematical modelling.’ In Proceedings of the 45th Conference of the International Group for the Psychology of Mathematics Education, edited by Fernandez, Llinares et al., 59–66. Spain: PME.
    • Evers, Marina; Wittkowski, Raphael; Linsen, Lars. . ‘ASEVis: Visual Exploration of Active System Ensembles to Define Characteristic Measures.’ In 2022 IEEE Visualization and Visual Analytics (VIS), edited by -, 150–154. Oklahoma City: IEEE Press. doi: 10.1109/VIS54862.2022.00039.
    • Boyle, Peter; Heitger, Jochen; et al. . ‘A lattice QCD perspective on weak decays of bb and cc quarks Snowmass 2022 White Paper.’ Contributed to the 2022 Snowmass Summer Study, Washington U., Seattle, Seattle, WA, United States.
    • Petrak, Pia; Bali, Gunnar; Collins, Sara; Heitger, Jochen; Jenkins, Daniel, Weißhäupl, Simon. . ‘Sigma terms of the baryon octet in N_f=2+1 QCD with Wilson quarks.’ Contributed 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; Blossier, Benoît. . ‘Direct access to hadronic decay parameters with twisted boundary conditions.’ Contributed to the 39th International Symposium on Lattice Field Theory (Lattice 2022), Bonn, Germany. doi: 10.48550/arXiv.2212.11206.

    • Bastian P, Blatt M, Dedner A, Dreier N, Engwer C, Fritze R, Gräser C, Kempf D, Klöfkorn R, Ohlberger M, Sander O. . ‘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 M G, de Araujo Pessoa L F, Buarque de Lima Neto F, Ludermir T B, Kuchen H. . ‘A Systematic Literature Review on General Parameter Control for Evolutionary and Swarm-based Algorithms.’ In Swarm and Evolutionary Computation, edited by Das S, Suganthan P N, Ali M, 100777. doi: 10.1016/j.swevo.2020.100777.
    • Brunk Jens, Stierle Matthias, Papke Leon, Revoredo Kate, Matzner Martin, Becker Jörg. . ‘Cause vs. Effect in Context-Sensitive Prediction of Business Process Instances.’ Information Systems 95, No. 1. doi: 10.1016/j.is.2020.101635.
    • Timmerkamp M, Lüpken NM, Scheibinger R, Schaarschmidt K, Schmidt MA, Boller K-J, Fallnich C. ‘Dispersive Wave Generation via Intermodal Cross-phase Modulation.’ contributed to the Conference on Lasers and Electro-Optics, San Jose, USA, . doi: 10.1364/CLEO_AT.2021.JW1A.13.
    • Lüpken NM, Timmerkamp M, Scheibinger R, Schaarschmidt K, Schmidt MA, Boller K-J, Fallnich C. . ‘Numerical and experimental demonstration of intermodal dispersive wave generation.’ Laser and Photonics Reviews 19, No. 5. doi: 10.1002/lpor.202100125.
    • te Vrugt Michael, Bickmann Jens, Wittkowski Raphael. . ‘Containing a pandemic: nonpharmaceutical interventions and the 'second wave'.’ Journal of Physics Communications 5, No. 5: 055008. doi: 10.1088/2399-6528/abf79f.
    • Meyer H, Pebesma E. . ‘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, Gorlatch Sergei. . ‘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.
    • Biehl JL, Paas B, Klemm O. . ‘Ventilation of a Mid-Size City under Stable Boundary Layer Conditions: A Simulation Using the LES Model PALM.’ Atmosphere 12, No. 401. doi: 10.3390/atmos12030401.
    • Dreier Nils-Arne. . Hardware-Oriented Krylov Methods for High-Performance Computing Dissertation thesis, WWU Münster.
    • Menezes Breno, Herrmann Nina, Kuchen Herbert, Neto Fernando Buarque de Lima. . ‘High-Level Parallel Ant Colony Optimization with Algorithmic Skeletons.’ International Journal of Parallel Programming 49: 776–801. doi: 10.1007/s10766-021-00714-1.
    • Henzler P, Traum C, Holtkemper M, Nabben D, Erbe M, Reiter DE, Kuhn T, Mahapatra S, Brunner K, Seletskiy DV, Leitenstorfer A. . ‘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, Kuhn T. . ‘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, Gorlatch Sergei. . ‘Efficient Auto-Tuning of Parallel Programs with Interdependent Tuning Parameters via Auto-Tuning Framework (ATF).’ ACM Transactions on Architecture and Code Optimization 18, No. 1: 1–26. doi: 10.1145/3427093.
    • Maas C., Manske L., Wünnemann K., Hansen, U. . ‘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, Kappes A. . ‘Sensitivity of multi-PMT optical modules in Antarctic ice to supernova neutrinos of MeV energy.’ Eur. Phys. J. C 81, No. 12: 1058. doi: 10.1140/epjc/s10052-021-09809-y.
    • Heitger J., Joswig F. . ‘The renormalised O(a) improved vector current in three-flavour lattice QCD with Wilson quarks.’ European Physical Journal C 81, No. 3: 254. doi: 10.1140/epjc/s10052-021-09037-4.
    • Heitger J., Joswig F., Kuberski S. . ‘Determination of the charm quark mass in lattice QCD with 2+1 flavours on fine lattices.’ Journal of High Energy Physics 05: 288. doi: 10.1007/JHEP05(2021)288.
    • Heitger J., Joswig F., Petrak P.L.J., Vladikas A. . ‘Ratio of flavour non-singlet and singlet scalar density renormalisation parameters in N_f=3 QCD with Wilson quarks.’ European Physical Journal C 81, No. 7: 606. doi: 10.1140/epjc/s10052-021-09387-z.
    • Cali S., Eckert K., Heitger J., Knechtli F., Korzec T. . ‘Charm sea effects on charmonium decay constants and heavy meson masses.’ European Physical Journal C 81, No. 8: 733. doi: 10.1140/epjc/s10052-021-09520-y.
    • Gérardin A., Heitger J., Kuberski S., Simma H., Sommer R. . ‘Precision $B^*Bπ$ coupling from three-flavor lattice QCD.’ In Proceedings of the 38th International Symposium on Lattice Field Theory.: SISSA. doi: 10.48550/arXiv.2111.04693.
    • Blossier B., Cahue P.-H., Heitger J., La Cesa S., Neuendorf J., Zafeiropoulos S. . ‘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.: SISSA. doi: 10.48550/arXiv.2111.05733.
    • Petrak P.L.J., Bali G., Collins S., Heitger J., Jenkins D., Weishäupl S., Wurm T. . ‘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.: SISSA. doi: 10.48550/arXiv.2112.00586.
    • Lengers F, Kuhn T, Reiter DE. . ‘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 F, Reiter DE, Wigger D, Kuhn T. . ‘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 G I, Wittkowski R. . ‘Master equations for Wigner functions with spontaneous collapse and their relation to thermodynamic irreversibility.’ Journal of Computational Electronics 20, No. 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, Würthwein G. . ‘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, Rohlfing M. . ‘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, Rohlfing M. . ‘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, Neugebauer J. . ‘Subsystem-Based GW/Bethe-Salpeter Equation.’ Journal of Chemical Theory and Computation 17, No. 4: 2186–2199. doi: 10.1021/acs.jctc.0c01307.
    • Hessenbuettel M, Deilmann T, Krueger P, Rohlfing M. . ‘Valley-Dependent Interlayer Excitons in Magnetic WSe2/CrI3.’ Nano Letters 21, No. 12: 5173–5178. doi: 10.1021/acs.nanolett.1c01232.
    • Osthues H, Schwermann C, Preuss JA, Deilmann T, Bratschitsch R, Rohlfing M, Doltsinis NL. . ‘Covalent photofunctionalization and electronic repair of 2H-MoS(2)via nitrogen incorporation.’ Physical Chemistry Chemical Physics 23, No. 34: 18517–18524. doi: 10.1039/d1cp02313f.
    • Lettmann T, Rohlfing M. . ‘Finite-momentum excitons in rubrene single crystals.’ Physical Review B 104, No. 11. doi: 10.1103/PhysRevB.104.115427.
    • Ali S, Bergner G, López C, Montvay I, Münster G, Piemonte S. . ‘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), 506.: Sissa Medialab.
    • Biedermann M, Diddens D, Heuer A. . ‘rs@ md: Introducing Reactive Steps at the Molecular Dynamics Simulation Level.’ Journal of Chemical Theory and Computation 17, No. 2: 1074–1085. doi: 10.1021/acs.jctc.0c01189.
    • Wettstein A, Diddens D, Heuer A. . ‘Polymer electrolytes in strong external electric fields: Modification of structure and dynamics.’ Macromolecules 54, No. 5: 2256–2265. doi: 10.1021/acs.macromol.0c02385.
    • Wölke C, Diddens D, Heidrich B, Winter M, Cekic-Laskovic I. . ‘Understanding the Effectiveness of Phospholane Electrolyte Additives in Lithium-Ion Batteries under High-Voltage Conditions.’ ChemElectroChem 8, No. 5: 972–982.
    • Otero-Mato JM, Rivera-Pousa A, Montes-Campos H, Cabeza O, Heuer A, Diddens D, Varela LM. . ‘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, Kolek M. . ‘Insights into the Solubility of Poly (vinylphenothiazine) in Carbonate-Based Battery Electrolytes.’ ACS applied materials & interfaces 13, No. 10: 12442–12453. doi: 10.1021/acsami.0c20012.
    • Atik J, Diddens D, Thienenkamp JH, Brunklaus G, Winter M, Paillard E. . ‘Cation-Assisted Lithium-Ion Transport for High-Performance PEO-based Ternary Solid Polymer Electrolytes.’ Angewandte Chemie International Edition 60, No. 21: 11919–11927.
    • Biedermann M, Diddens D, Heuer A. . ‘Connecting the quantum and classical mechanics simulation world: Applications of reactive step molecular dynamics simulations.’ The Journal of Chemical Physics 154, No. 19: 194105. doi: 10.1063/5.0048618.
    • Gardam Giles. . ‘A counterexample to the unit conjecture for group rings.’ Annals of Mathematics 194 (2021), No. 3: 967–979. doi: 10.4007/annals.2021.194.3.9.
    • Meng X, Klaasen H, Viergutz L, Schulze Lammers B, Witteler MC, Mönig H, Amirjalayer S, Liu L, Neugebauer J, Gao H, Studer A, Fuchs H. . ‘Azo bond formation on metal surfaces.’ Angewandte Chemie International Edition 60, No. 3: 1458–1464. doi: 10.1002/anie.202011858.
    • Liu L, Klaasen H, Witteler MC, Schulze Lammers B, Timmer A, Kong H, Mönig H, Gao H, Neugebauer J, Fuchs H, Studer A. . ‘Polymerization of silanes through dehydrogenative Si–Si bond formation on metal surfaces.’ Nature Chemistry 13, No. 4: 350–357. doi: 10.1038/s41557-021-00651-z.
    • Keil Tim, Rave Stephan. . ‘An Online Efficient Two-Scale Reduced Basis Approach for the Localized Orthogonal Decomposition.’ arXiv 2021. [submitted / under review]
    • Leibner T, Matis M, Ohlberger M, Rave S. . ‘Distributed model order reduction of a model for microtubule-based cell polarization using HAPOD.’ arXiv [math.NA] 2111.00129. [submitted / under review]
    • Danzer, MF; Terzer, T; Berthold, F; Faldum, A; Schmidt, R. . ‘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, Fallnich C. . ‘Frequency Conversion by Intermodal Dispersive Wave Generation.’ Contributed to the Advanced Photonics Congress, Washington, DC, United States.
    • Abadeer M, Magharious S, Gorlatch S. . ‘Introducing Interactivity in Disaster Recovery Simulations.’ In New Trends in Intelligent Software Methodologies, Tools and Techniques, edited by Fujita H, Perez-Meana H, 267–280. Amsterdam: IOS Press. doi: 10.3233/FAIA210026.
    • Kucher V, Gorlatch S. . ‘Implicit Data Layout Optimization for Portable Parallel Programming in C++.’ In Parallel Computing Technologies, edited by Malyshkin V, 223–234. Cham: Springer. doi: 10.1007/978-3-030-86359-3_17.
    • Bonin M, Hameleers L, Hembach L, Roret T, Cord-Landwehr S, Michel G, Moerschbacher B. . ‘In silico and in vitro analysis of an Aspergillus niger chitin deacetylase to decipher its subsite sugar preferences.’ Journal of Biological Chemistry 297, No. 4: 101129. doi: 10.1016/j.jbc.2021.101129. [accepted / in press (not yet published)]
    • 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, Boos J. . ‘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, No. 2: 289–300. doi: 10.1007/s13318-021-00670-8.
    • Timmerkamp M, Lüpken NM, Scheibinger R, Schaarschmidt K, Schmidt MA, Boller K-J, Fallnich C. . ‘Generation of Dispersive Waves via Intermodal Cross-phase Modulation.’ Contributed to the CLEO/Europe-EQEC, Munich, Germany. doi: 10.1109/CLEO/Europe-EQEC52157.2021.9541887.

    • Jeggle Julian, Stenhammar Joakim, Wittkowski Raphael. . ‘Pair-distribution function of active Brownian spheres in two spatial dimensions: simulation results and analytic representation.’ Journal of Chemical Physics 152, No. 19: 194903. doi: 10.1063/1.5140725.
    • Paas, B, Zimmermann, T, Klemm, O. . ‘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, Gorlatch S. . ‘Testing of multithreaded applications with locks on non-atomic variables.’ Scientific and Technical Journal of Information Technologies, Mechanics and Optics 20, No. 2: 243–248. doi: 10.17586/2226-1494-2020-20-2-243-248.
    • Danielova-Zaharieva Martina, Trede Mark, Wilfling Bernd. . ‘Bayesian semiparametric multivariate stochastic volatility with application.’ Econometric Reviews 39, No. 9: 947–970. doi: 10.1080/07474938.2020.1761152.
    • Kucher Vladyslav, Hunloh Jens, Gorlatch Sergei. . ‘Performance Portability and Unified Profiling for Finite Element Methods on Parallel Systems.’ Advances in Science, Technology and Engineering Systems Journal (ASTESJ) 5, No. 1: 119–127. doi: 10.25046/aj050116.
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