2026

Quas, A., Rickhoff, C., Wedlich-Söldner, R., Heuer, A.
Effect of very long-chain lipids on the organization of biological membranes: A simulation study
Biophysical Journal 125 (8) (2026)

Pflüger, P. M., Katzenburg, F., Sandfort, F., Teders, M., Gómez-Suárez, A., Standley, E. A., Hopkinson, M. N., Daniliuc, C. G., Heuer, A., Glorius, F.
A General Group Testing Strategy for Discovering Chemical Cooperativity
Angewandte Chemie International Edition 65, e25278 (2026) 

Ingber, T. T. K., Kimms, L., Winter, M., Heuer, A., Diddens, D.
Optical Detection and Modeling of Lithium Deposition on Copper Current Collectors
  Advanced Materials Interfaces, e70470 (2026)

Kimms, L., Diddens, D., Heuer, A.
Understanding the Lithium Ion Transport in Concentrated Block-Copolymer Electrolytes on a Microscopic Level
Macromolecules 59 (9), 5582-5593 (2026)

Parmar, A. D. S., Kellers, S. G., Heuer, A.
Starting from the amorphous ground state: Linking landscape thermodynamics to slow dynamics and crossover
The Journal of Chemical Physics 164 (19), 194506 (2026)

Weiss, V. C., Hieronimus, R., Heuer, A.
Cluster distribution in the association description of square-well fluids
Physica A: Statistical Mechanics and its Applications 695, 131621

Fischer, M., Hinz, R. T., Wölke, C., Cekic-Laskovic, I., Winter, M., Heuer, A.
Unlocking a shortcut: Active machine learning in non-aqueous battery electrolyte development for sodium-based batteries
ChemRxiv, doi: 10.26434/chemrxiv.15001244/v1 (2026)

Shukla, G., Kozdra, M., Hölzer, L., Diddens, D., Heuer, A.
Li-Ion Transfer at the LLZO-Polycaprolactone Interface: Role of Polymer Chemistry in Interfacial Transport
ChemRxiv, doi: 10.26434/chemrxiv.15002880/v1 (2026)

Mitra, S., Diddens, D., Heuer, A.
Improving operator splitting and effective reaction probability for a reactive-step based molecular dynamics workflow
Journal of Mathematical Chemistry 64, 24 (2026)

2025

Monsees, F., Misiewicz, C., Dalkilic, M., Diddens, D., Heuer, A.
Enhancing the stability and performance of Ni-rich cathode materials through Ta doping: a combined theoretical and experimental study
Physical Chemistry Chemical Physics 27 (2), 834–843 (2025)

Higashi, S. L., Zheng, Y., Chakraborty, T., Alavizargar, A., Heuer, A., Wegner, S. V.
Adaptive metal ion transport and metalloregulation-driven differentiation in pluripotent synthetic cells
Nature Chemistry 17 (1), 54–65 (2025)

Spreckelmeyer, N., Yan, P., Maiti, M., Krishnamoorthy, A. N., Wölke, C., et al.
Linear superposition behavior of blended salt organic carbonate-based electrolyte formulations
Physical Chemistry Chemical Physics (2025)

Pierau, M., Kriegler, S., Rickhoff, C., Paulisch, T. O., Wegner, T., Alavizargar, A., et al.
Neutral Imidazole Lipid Analogues Exhibit Improved Properties for Artificial Model Biomembranes
Langmuir 41 (17), 10991–11002 (2025)

Monsees, F., Broqvist, P., Diddens, D., Heuer, A.
Size Does Not Matter, Attraction Does: A Computational Study of Doped LiNiO₂
Electrochemical Society 172 (5), 050514 (2025)  

Fischer, M., Heuer, A.
Spielvorhersagen im Fußball: Machine Learning vs. Poisson-Ansätze
The Artificial Intelligence and Machine Learning in Sports Science, 91–102 (2025)

S. Mitra, C Zebs, S Kupfer, A. Heuer, D. Diddens
Machine Learning Models for Predicting Electronic Coupling in TEMPO/TEMPO⁺ Systems
The Journal of Physical Chemistry C (2025)

Wettstein, A., Diddens, D., Heuer, A.
Exploring nonlinear ion dynamics in polymer electrolytes from the perspective of hopping models
The Journal of Chemical Physics 163, 224129 (2025)

Keller, F., Kellers, S. G., Heuer, A.
A Mechanistic Perspective on the Effect of Cholesterol in Phospholipid Bilayers
The Journal of Physical Chemistry B 129 (49), 12723-12734 (2025)

Kozdra, M., Hölzer, L., Brandell, D., Heuer, A.
Equilibration of ion distribution at polymer/ceramic interfaces
Physical Chemistry Chemical Physics 27, 24918-24931 (2025)

• 2024

  Alavizargar, A., Gass, M., Krahn, M. P., Heuer, A.
  Elucidating the membrane binding process of a disordered protein: Dynamic interplay of anionic lipids and the polybasic region
  ACS Physical Chemistry Au 4 (2), 167–179 (2024) 

  Mitra, S., Heuer, A., Diddens, D.
  Electron transfer reaction of TEMPO-based organic radical batteries in different solvent environments: comparing quantum and classical approaches Physical Chemistry Chemical Physics 26 (4), 3020–3028 (2024)
  
  Yan, P., Fischer, M., Martin, H., Wölke, C., Krishnamoorthy, A. N., Cekic-Laskovic, I., Diddens, D., Winter, M., Heuer, A.
  Non-aqueous battery electrolytes: high-throughput experimentation and machine learning-aided optimization of ionic conductivity
  Journal of Materials Chemistry A 12 (30), 19123–19136 (2024)
  
  Alavizargar, A., Gass, M., Krahn, M. P., Heuer, A.
  Elucidating the membrane binding process of a disordered protein: Dynamic interplay of anionic lipids and the polybasic region
  ACS Physical Chemistry Au 4 (2), 167–179 (2024) 

  Rivera-Pousa, A., Otero-Mato, J. M., Montes-Campos, H., Méndez-Morales, T., Diddens, D., Heuer, A., Varela, L. M.
  Ternary Solid Polymer Electrolytes at the Electrochemical Interface: A Computational Study
  Macromolecules 57 (9), 3921–3936 (2024)
  
  Mabrouk, Y., Safaei, N., Hanke, F., Carlsson, J. M., Diddens, D., Heuer, A.
  Reactive molecular dynamics simulations of lithium-ion battery electrolyte degradation
  Scientific Reports 14 (1), 10281 (2024)

  Mensing, J., van der Wiel, W. G., Heuer, A.
  A kinetic Monte Carlo approach for Boolean logic functionality in gold nanoparticle networks
  Frontiers in Nanotechnology 6, 1364985 (2024) 
  
  Wonisch, E., Mensing, J., Heuer, A.
  Second-order mean-field approximation for calculating dynamics in Au-nanoparticle networks
  Physical Review E 110 (3), 034103 (2024)

  Te Vrugt, M., Topp, L., Wittkowski, R., Heuer, A.
  Microscopic derivation of the thin film equation using the Mori–Zwanzig formalism
  The Journal of Chemical Physics 161 (9), 094103 (2024)
  
  Zhour, K., Heuer, A., Diddens, D.
  Impact of Polymer End Groups on the Formation of Solid Electrolyte Interphase at the Lithium Metal Interface: A First-Principles Calculations Study
  The Journal of Physical Chemistry C 128 (38), 15888–15898 (2024) 
  
  Klink, B. U., Alavizargar, A., Kalyankumar, K. S., Chen, M., Heuer, A., et al.
  Structural basis of α-latrotoxin transition to a cation-selective pore
  Nature Communications 15 (1), 8551 (2024)
  
  Scharf, F., Krude, A., Lennartz, P., Clausnitzer, M., Shukla, G., Buchheit, A., et al.
  Synergistic Enhancement of Mechanical and Electrochemical Properties in Grafted Polymer/Oxide Hybrid Electrolytes
  Small 20 (47), 2404537 (2024)
  
  Zhour, K., Heuer, A., Diddens, D.
  Insights into polymer electrolyte stability and reaction pathways: A first-principle calculations study
  The Journal of Chemical Physics 161 (21), 214302 (2024)
  
  Ozcelik, H. G., Bienek, D., Hardt, M., Glikman, D., Braunschweig, B., Heuer, A.
  Photoswitchable Arylazopyrazole Surfactants at the Water–Air Interface: A Microscopic Perspective
  Langmuir 40 (52), 27183–27193 (2024)
  
   

2023

Haase, D., Rasch, C., Keller, U., Tsytsyura, Y., Glyvuk , N., Elting, A., Wittmar, J., Janning, A., Kahms, M., Wedlich, N., Schuberth, C., Heuer, A., Klingauf, J., Wedlich-Söldner, R.
Tetraspanner-based nanodomains modulate BARdomain-induced membrane curvature
EMBO reports 24, e57232 (2023)

Maiti, M., Krishnamoorthy, A.N.,.Mabrouk, Y., Mozhzhukhina, N., Matic, A., Diddens, D., Heuer, A.
Mechanistic understanding of the correlation between structure and dynamics of liquid carbonate electrolytes: impact of polarization
Phys. Chem. Chem. Phys. 25, 20350-20364 (2023)

Topp, L., Haddick, L., Mählmann, D., Heuer, A.
Wettability gradient-driven droplets with an applied external force
J. Chem. Phys. 158, 174703 (2023)

Daniel, D.T., Oevermann, S., Mitra, S, Rudolf, K., Heuer, A., Eichel, R.A., Winter, M. , Diddens, D., Brunklaus, G., Granwehr, J.
Multimodal investigation of electronic transport in PTMA: Impact on organic radical battery performance
Scientific Reports 13, 10934 (2023)

Höglsperger, F., Vos, B.-E., Hofemeier, A., Seyfried, M.D., Stövesand, B., Alavizargar, A., Topp, L., Heuer, A., Betz, T., Ravoo, B.-J.
Rapid and reversible optical switching of cell membrane area by an amphiphilic azobenzene
Nature Communications 14, 3760 (2023)

D. Diddens, A. Heuer
Hydrodynamic Interactions in Ion Transport -- Theory and Simulation
J. Chem. Phys. 158, 154112 (2023)

Borkowsky, S., Gass, M-, Alavizargar, A., Hanewinkel, J., Hallstein, I., Nedvetsky, P., Heuer, A., Krahn, M.P.
Phosphorylation of LKB1 by PDK1 Inhibits Cell Proliferation and Organ Growth by Decreased Activation of AMPK
Cells 12, 81 (2023)

Gerlitz, A.I., Diddens, D., Grünebaum, M-, Heuer, A., Winter, M., Wiemhöfer, H.-D.
Polypropylene carbonate-based electrolytes as model for a different approach towards improved ion transport properties for novel electrolytes
Phys. Chem. Chem. Phys. 25, 4810 (2023)

Saha, T., Heuer, A., Galic, M-
Systematic Analysis of Curvature-Dependent Lipid Dynamics in a Stochastic 3D Membrane Model
J. Soft Matter 19, 1330–1341 (2023)

Kötter, A., Mootz, H.D., Heuer, A.
Conformational and Interface Variability in Multivalent SIM−SUMO Interaction
J. Phys. Chem. B 127, 3806−3815 (2023)

Hardt, M., Busse, F., Raschke, S., Honnigfort, C., Carrascosa-Tejedor, J., Wenk, P., Gutfreund, P., Campbell, R.A., Heuer, A., Braunschweig, B.
Photo-Responsive Control of Adsorption and Structure Formation atthe Air−Water Interface with Arylazopyrazoles
Langmuir 39, 5861−5871 (2023)

F. Keller, A. Alavizargar, R-Wedlich-Söldner, A. Heuer
The impact of bilayer composition on the dimerization properties of the Slg1 stress sensor TMD from a multiscale analysis†
Phys. Chem. Chem. Phys., 25, 1299–1309 (2023)

J.-P. Hoffknecht, A. Wettstein, J. Atik, C. Krause, J. Thienenkamp, G. Brunklaus, M. Winter, D. Diddens, A. Heuer, E. Paillard
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 (2023)

M. Stieneker , L. Topp , S. V. Gurevich , A. Heuer
Multiscale perspective on wetting on switchable substrates: Mapping between microscopic and mesoscopic models
Physical Review Fluids 8, 013902 (2023)

2022

P.K. Roy, A.Heuer
Influence of the coordination defects on the dynamics and the potential energy landscape of two-dimensional silica
J. Chem. Phys. 157, 174506 (2022)

M. Fischer, A. Heuer, D. Diddens
Structure and Transport Properties of Poly(ethylene oxide)-Based Cross-Linked Polymer Electrolytes─A Molecular Dynamics Simulations Study
Macromolecules 55, 10229−10242 (2022)

L. Topp, M. Stieneker, S.V. Gurevich, A. Heuer
Wetting dynamics under periodic switching on different scales: characterization and mechanisms
Soft Matter 18, 6974–6986 (2022)

A.N. Krishnamoorthy, C. Wölke, D. Diddens, M. Maiti,[. Mabrouk, P. Yan, M. Grünebaum, M. Winter, A. Heuer, I. Cekic-Laskovic
Data-Driven Analysis of High-Throughput Experiments on Liquid Battery Electrolyte Formulations: Unraveling the Impact of Composition on Conductivity
Chemistry—Methods 2, e202200008 (2022)

H. Tertilt , J. Bakker , M. Becker, B. de Wilde , I. Klanberg, B. J. Geurts, W. G. van der Wiel , A. Heuer , P. A. Bobbert
Hopping-Transport Mechanism for Reconfigurable Logic in Disordered Dopant Networks
Phys. Rev. Applied 17, 064025 (2022)

A. Alavizargar, A. Elting, R. Wedlich-Söldner, A. Heuer
Lipid-mediated Association of the Slg1 Transmembrane Domains in Yeast Plasma Membranes
Phys. Chem. B (2022)

S. Raschke, A. Heuer
Frame-guided assembly from a theoretical perspective
J. Chem. Phys. 156, 164905 (2022)

A. Wettstein, D. Diddens, A. Heuer
Controlling Li+ transport in ionic liquid electrolytes through salt content and anion asymmetry: a mechanistic understanding gained from molecular dynamics simulations
Phys. Chem. Chem. Phys. 24, 6072-6086 (2022)

J. Amici, P. Asinari, E. Ayerbe, P. Barboux, P. Bayle-Guillemaud, R. J. Behm, M. Berecibar, E. Berg, A. Bhowmik, S. Bodoardo, I. E. Castelli, I. Cekic-Laskovic, R. Christensen, S. Clark, R. Diehm, R. Dominko, M. Fichtner, A. A. Franco, A.  Grimaud, N. Guillet, M. Hahlin, S. Hartmann, V. Heiries, K. Hermansson, A. Heuer, S. Jana, L. Jabbour, J. Kallo, A. Latz, H. Lorrmann,O. M. Løvvik, S. Lyonnard, M. Meeus, E. Paillard, S. Perraud, T. Placke, C. Punckt, O. Raccurt, J. Ruhland, E. Sheridan, H. Stein, J.-M. Tarascon, V. Trapp, T. Vegge, M. Weil, W. Wenzel, M. Winter, A. Wolf, K. Edström
A Roadmap for Transforming Research to Invent the Batteries of the Future Designed within the European Large Scale Research Initiative BATTERY 2030
Adv. Energy Mater. 2102785 (2022)

D. Diddens, W. A. Appiah, Y. Mabrouk, A. Heuer, T. Vegge,  A.Bhowmik
Modeling the Solid Electrolyte Interphase – Machine Learning as a Game Changer?
Adv. Mater. Interfaces 9, 2101734 (2022)

C. Honnigfort, L.  Topp, N. García Rey, A. Heuer, B. Braunschweig
Dynamic Wetting of Photo-Responsive Arylazopyrazole Monolayers is Controlled by the Molecular Kinetics of the Monolayer
J. Am. Chem. Soc. 144, 9, 4026–4038 (2022)

2020

A. Heuer
Identification of relevant performance indicators in round-robin tournaments
(arXiv:2003.03774) (submitted)

A. Heuer
From identification of random contributions to determination of the optimum forecast of a soccer match
(arXiv:2003.09352) (submitted)

L. Kimms, D. Diddens, A. Heuer
Microscopic Understanding of the Lithium Ion Transport in Concentrated Block-Copolymer Electrolytes
(arXiv:2010.11673) (submitted)

A. Thum, A. Heuer, D. Diddens
Impact of charged interfaces on the structure and dynamics of polymer electrolytes: insights from atomistic simulations
(arXiv:2010.13733) (submitted)

A. Heuer
Identification of relevant performance indicators in round-robin tournaments
(arXiv:2003.03774) (submitted)

A. Heuer
From identification of random contributions to determination of the optimum forecast of a soccer match
(arXiv:2003.09352) (submitted)

S. Tovey, A. Narayanan Krishnamoorthy, G. Sivaraman, J. Guo, C. Benmore, A. Heuer, C. Holm
DFT Accurate Interatomic Potential for Molten NaCl from Machine Learning
J. Phys. Chem. C 124, 47, 25760–25768 (2020)

A. Heuer
Fußball-Vorhersagen mit statistischen Methoden. Wer wird Meister?
Phys. Unserer Zeit 51/3), 131-137 (2020)

A. Kötter, H.D. Mootz, A. Heuer
Insights into the Microscopic Structure of RNF4-SIM-SUMO Complexes from MD Simulations
Biophys J 119(8), 1558-1567 (2020)

A. Thum, A. Heuer, K. Shimizu, J.N. Canongia Lopes
Solvate ionic liquids based on lithium bis(trifluoromethanesulfonyl)imide - glyme systemsAr: coordination in MD simulations with scales charges
Phys. Chem. Chem. Phys. 22, 525-535 (2020)

V. Weiß, R. Hieronimus, A. Heuer
Excluded Volume in The Association Description of Square-Well Fluids
J. Molecular Liquids 299, 112235 (2020)

2019

V. Vijayakumar, D. Diddens, A. Heuer, S. Kurungot, M. Winter, J.R. Nair
Dioxolanone anchored poly (allyl ether)-based cross-linked dual-salt polymer electrolytes for high voltage lithium metal batteries
Applied Materials & Interfaces 12, 567-579 (2020)

A. Kötter, H. Mootz, A. Heuer
Standard binding free energy of a SIM SUMO complex
J. Chem. Theory Comp. 15, 6403-6410

D. Hakobyan, A. Heuer
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 (2019)

P.K. Roy, A Heuer
Relating local structures, energies, and occurrence probabilities in a two-dimensional silica network
arXiv:1811.05212 (2018)

P.K. Roy, A Heuer
Ring statistics in 2D-silica: effective temperatures in equilibrium
Phys. Rev. Lett. 122, 016104 (2019)

2018

J. Smiatek, A. Heuer, M. Winter
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 (2018)

R. Friedman, S. Khalid, C.A.-Santamaría, E. Arutyunova, M. Becker, K.J. Boyd, M. Christensen, J.T.S. Coimbra, S. Concilio, C. Daday, F.J. van Eerden, P.A. Fernandes, F. Gräter, D.Hakobyan, A. Heuer,K. Karathanou, F. Keller, M.J. Lemieux, S.J. Marrink, E.R. May, A. Mazumdar, R. Naftalin, M. Pickholz, S. Piotto, P. Pohl, P. Quinn, M.J. Ramos, B. Schiøtt, D. Sengupta, L. Sessa, S. Vanni, T. Zeppelin, V. Zoni, A.-N. Bondar, C. Domene
Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology
J Membr Biol. 251(5), 609–631 (2018

A.N. Kirshnamoorthy, K. Oldiges, M. Winter, A. Heuer, I. Cekic-Laskovic, C. Holm, J. Smiatek
Electrolyte solvents for high voltage lithium ion batteries: ion correlation and specific anion effects in adiponitrile
Phys. Chem. Chem. Phys. 20, 25701-25715 (2018)

M. Blank-Burian. A. Heuer
Shearing small glass-forming systems: a potential energy landscape perspective
Phys. Rev. E 98, 033002 (2018)

K. Oldiges, D. Diddens, M. Ebrahiminia, J. B. Hooper, I. Cekic-Laskovic, A. Heuer, D. Bedrov, M. Winter, G. Brunklaus
Understanding transport mechanisms in ionic liquid/carbonate solvent electrolyte blends
DOI: 10.1039/c8cp01485j, Phys. Chem. Chem. Phys. 2018)

P.K. Roy, M. Heyde, A. Heuer
Modelling the atomic arrangement of amorphous 2D silica: a network analysis
Phys. Chem. Chem. Phys. 20, 14725--14739 (2018)

O. Buller, H. Wang, W. Wang, L. Chi, A. Heuer
Boundary-induced nucleation control: A theoretical perspective
Phys. Chem. Chem. Phys. 20, 3752--3760 (2018)

2017

M. Blank-Burian. A. Heuer
Metabasin Analysis of the Stress Overshoot in Sheared Supercooled Liquids
arXiv:1710.04841, J. Chem. Phys. (submitted) (2017)

O. Buller, H. Wang, W. Wang, L. Chi, A. Heuer
Boundary-induced nucleation control: A theoretical perspective
Phys. Chem. Chem. Phys (submitted) (2017)

D. Riedl, L. Herrmann, A. Heuer; B. Strauss
Loss aversion and psychological momentum: Exploring the behavioral correlates of psychological performance triggers
Personality and Social Psychology Bulletin (submitted)

J. Smiatek, D. Riedl, A. Heuer
A conceptual statistical framework to compare different sports and its application in basketball, handball and soccer
Physica A (submitted)

D. Hakobyan, V. Gerke, A. Heuer
Modeling of annexin A2ÐMembrane interactions by molecular dynamics simulations
PLoS One (2017)

M. Biedermann, A. Heuer
Exploring the free energy gain of phase separation via Markov State Modeling
J. Chem. Phys. 147, 034107 (2017)

D. Diddens, V. Lesch, A. Heuer, J. Smiatek
Aqueous Ionic Liquids and Their Influence on Peptide Conformations: Denaturation and Dehydration Mechanisms
Phys. Chem. Chem. Phys. 19, 20430-20440 (2017)

O. Buller, W. Tewes, A.J. Archer, A. Heuer, U. Thiele, S. Gurevich
Nudged Elastic Band calculation of the binding potential for liquids at interfaces
J. Chem. Phys. 147, 024701  (2017)

A. Heuer, C.F.E. Schroer, D. Diddens, C. Rehwald, M. Blank-Burian
Nonlinear response from the perspective of energy landscapes and beyond
Eur. Phys. J. Special Topics 226, 3061–3078 (2017)

D. de Jong, A. Heuer
The influence of solid scaffolds on flat and curved lipid membranes
AIP Advances 7, 075007 (2017)

D. Diddens, E. Paillard, A. Heuer
Improving the Lithium Ion Transport in Polymer Electrolytes by Functionalized Ionic-Liquid Additives: Simulations and Modeling
J. Electrochem. Soc. 164 (11), E3225-E3231 (2017)

W. Tewes, O. Buller, A. Heuer, U. Thiele, S. Gurevich
Comparing Kinetic Monte Carlo and Thin-Film Modeling of Transversal Instabilities of Ridges on Patterned Substrates
arXiv:1611.09685, J. Chem. Phys 146, 094704 (2017)

J. J. Marek, R. P. Singh, A. Heuer, U. Hennecke
Enantioselective Catalysis by Using Short, Structurally Defined DNA Hairpins as Scaffold for Hybrid Catalysts
Chem. Eur. J. 23, 6004-6008 (2017)

D. Hakobyan, A. Heuer
2D lattice model of a lipid bilayer: Microscopic derivation and thermodynamic exploration
J. Chem. Phys. 146, 064305 (2017)

2016

D. Wang, D.H. de Jong, A. Rühling, V. Lesch, K. Shimizu, S. Wulff, A. Heuer, F. Glorius, H.-J. Galla
Imidazolium-based lipid analogues and their interaction with phosphatidylcholine membranes
Langmuir 32, 12579-12592 (2016)

V. Lesch, H. Montes-Campos, T. Méndez-Morales, L.J. Gallego, A. Heuer, C. Schröder, L. M. Varela
Molecular dynamics analysis of the effect of electronic polarization on the structure and single-particle dynamics of mixtures of ionic liquids and lithium salts
J. Chem. Phys. 145, 204507 (2016)

V. Lesch, A. Heuer, B.R. Rad, M. Winter, J. Smiatek
Atomistic insights into deep eutectic electrolytes: The influence of urea on the electrolyte salt LiTFSI in view of electrochemical applications
Phys. Chem. Chem. Phys. 18, 28403--28408 (2016)

J. Bewerunge, I. Ladadwa, F. Platten, C. Zunke, A. Heuer, S.U. Egelhaaf
Time- and ensemble-averages in evolving systems: the case of Brownian particles in random potentials
Phys. Chem. Chem. Phys. 18, 18887--18895 (2016)

R. Hieronimus, A. Heuer
How to model the interaction of charged Janus particles
J. Chem. Phys. 145, 064303 (2016)

H. Wang, O. Buller, W.C. Wang, A. Heuer, D.Q. Zhang, H. Fuchs, L.F. Chi
Area confined position control of molecular aggregates
New J. Phys. 18, 053006 (2016)

V. Lesch A. Heuer C. Holm J. Smiatek
Properties of Apolar Solutes in Alkyl-Imidazolium Based Ionic Liquids: The Crucial Importance of Local Interactions
ChemPhysChem 17, 387 – 394 (2016)

V. Lesch, Z. Li, D. Bedrov, O. Borodin, A. Heuer
Influence of cation on lithium ion coordination and transport in ionic liquid electrolytes: A molecular dynamics simulation study
Phys. Chem. Chem. Phys. 18, 382-392 (2016)

T. Winands, M.Böckmann, T.Schemme, P.-M.N. Ly, D.H. de Jong, Z. Wang, C. Denz, A.Heuer, N.L. Doltsinis
P3HT:DiPBI bulk heterojunction solar cells: morphology and electronic structure probed by multiscale simulation and UV/vis spectroscopy
Phys. Chem. Chem. Phys. 18(8), 6217-6227 (2016)

2015

P.K. Jana, C. Wang, R.L. Jack, L. Chi, A. Heuer
Anomalous approach to thermodynamic equilibrium: structure formation of molecules after vapor deposition
Phys Rev E 92, 052402 (2015)

C. Honisch, T.-S. Lin, A. Heuer, U. Thiele, and S. V. Gurevich
Instabilities of layers of deposited molecules on chemically stripe patterned substrates: Ridges vs. drops
Langmuir 31, 10618–10631 (2015)

C.F.E. Schroer, A.Heuer
Understanding the Nonlinear Dynamics of Driven Particles in Supercooled Liquids in Term0s of an Effective Temperature
J. Chem. Phys. 143/22, 224501 (2015)

V. Lesch, A. Heuer, V.A. Tatsis, C. Holm, J. Smiatek
Peptides in Presence of Aqueous Ionic Liquids:Tunable Co-Solutes as Denaturants or Protectants?
Phys. Chem. Chem. Phys. 17, 26049-26053 (2015)

M. Böckmann, T. Schemme, D. H. de Jong, C. Denz, A. Heuer, N. L. Doltsinis
Structure of P3HT crystals, thin films, and solutions by UV/Vis spectral analysis
Phys. Chem. Chem. Phys. 17. 28616-28625 (2015)

J. Chattoraj, T. Risthaus, O. Rubner, A. Heuer, and S. Grimme
A multi-scale approach to characterize pure CH4, CF4, and CH4/CF4 mixtures
J. Chem. Phys. 142, 164508 (2015)

D. Riedl, B. Strauss, A. Heuer
Why the three-point rule failed to sufficiently reduce the number of draws in soccer: An application of Prospect Theory
Journal of Sport & Exercise Psychology 37, 316-326 (2015)

M. Schmollngruber, V. Lesch, C. Schröder, A. Heuer, O. Steinhauser
Comparing induced point-dipoles and Drude oscillators
Phys. Chem. Chem. Phys. 17, 14297-14306 (2015)

J. Chattoraj, M. Knappe, A. Heuer
Dependence of Ion Dynamics on the Polymer Chain Length in Poly(Ethylene Oxide)-Based Polymer Electrolytes
J. Phys. Chem. B 119(22):6786-91 (2015)

V. Lesch, A. Heuer, C. Holm, J. Smiatek
Solvent effects of 1-ethyl-3-methylimidazolium acetate: Solvation and dynamic behavior of polar and apolar solutes
Phys. Chem. Chem. Phys.17, 8480-8490 (2015)

D. Diddens, A. Heuer
Chain End Mobilities in Polymer Melts - A Computational Study
J. Phy. Chem.142, 014906 (2015)

2014

C. Mattner, B.Roling, A. Heuer
The frequency-dependence of nonlinear conductivity in disordered systems: an analytically solvable model
Solid State Ionics 261, 28-35 (2014)

A. Heuer, J. Smiatek, B. Strauss, D. Riedl
Informationsgehalt von Fussball-Spieldaten
in „Fußball in Forschung und Lehre - Beiträge und Analysen zum Fußballsport XIX“, M. Lames, O. Kolbinger, M. Siegle, D. Link (Hrsg.), 75-79 (2014)
 
A. Heuer, O. Rubner
Optimizing the Prediction Process: From Statistical Concepts to the Case Study of Soccer
PLoS ONE 9, e104647 (2014)

C. Wang, P. K. Jana, H. Zhang, Z. Mu, G. Kehr, T. Blömker, G. Erker, H. Fuchs, A. Heuer, L. Chi
Controlling two-phase self-assembly of an adenine derivative on HOPG via kinetic effects
Chem. Commun. 50, 9192-9195 (2014)
 
D. Riedl, B. Strauss, A. Heuer, O. Rubner
Finale furioso: Referee biased injury times and their effects on home field advantage in soccer
Journal of Sports Sciences (2014)

V. Lesch, S. Jeremias, A. Moretti, S. Passerini, A. Heuer, O.A. Borodin
Combined Theoretical and Experimental Study of the Influence of Different Anion Ratios on Lithium Ion Dynamics in Ionic Liquids
J. Phys. Chem. B, 2014, 118, 7367-7375 (2014)

J. Smiatek, A. Heuer
Deprotonation mechanism of a single-stranded DNA i-motif
RSC Advances 4, 17110-17113 (2014)

D. Diddens, A. Heuer
Simulation Study of the Lithium Ion Transport Mechanism in Ternary Polymer Electrolytes: The Critical Role of the Segmental Mobility
J. Phys. Chem. B 118, 1113-1125 (2014)

A. Heuer, L. Lühning
Physical mechanisms of nonlinear conductivity: a model analysis
J. Chem. Phys. 140, 094508 (2014)

D.Hakobyan, A. Heuer
Key Molecular Requirements for Raft Formation in Lipid/Cholesterol Membranes
PLoS ONE 9/2, e87369 (2014)

J. Chattoraj, D. Diddens, A. Heuer
Effects of ionic liquids on cation dynamics in amorphous polyethylene oxide electrolytes
J. Chem. Phys. 140/2, 024906 (2014)

J. Smiatek, D. Janssen-Mueller, R. Friedrich, A. Heuer
Systematic detection of hidden complexities in the unfolding mechanism of a cytosine-rich DNA strand
Physica A 394, 136–144 (2014)

2013

C.F.E. Schroer, A. Heuer
Microrheology of Supercooled Liquids in Terms of a Continuous Time Random Walk
Fragility of Glass-forming Liquids, , A.L. Greer, K. Kelton, S. Sastry (Ed), 459-463 (2013)

F. Evers, R.D.L. Hanes, C. Zunke, R.F. Capellmann, J. Bewerunge, C. Dalle-Ferrier, M.C. Jenkins, I. Ladadwa, A. Heuer, R. Castaneda-Priego, S.U. Egelhaaf
Colloids in light fields: Particle dynamics in random and periodic energy landscapes
Eur. Phys. J. Special Topics 222/11, 2995–3009 (2013)

 Z. Mu, O. Rubner, M. Bamler, T. Blömker, G. Kehr, G. Erker, A. Heuer, H. Fuchs, L. Chi
Temperature-Dependent Self-Assembly of Adenine Derivative on HOPG
Langmuir 29; 10737-10743 (2013)

J. Smiatek, R.K. Harishchandra, H.-J. Galla, A. Heuer
Low concentrated hydroxyectoine solutions in presence of DPPC lipid bilayers: A computer simulation study
Biophysical Chemistry 180–181, 102–109 (2013)

F. Evers, R. D. L. Hanes, C. Zunke, J. Bewerunge, I. Ladadwa, A. Heuer, Stefan U. Egelhaaf
Particle dynamics in two-dimensional random energy landscapes - experiments and simulations
arXiv:1302.2968, Phys. Rev E 88, 022125 (2013)

T. Mues, A. Heuer
Nucleation Growth: A probabilistic description of a Lattice Monte Carlo Simulation
Phys. Rev. B 88, 045411 (2013)

A. Heuer, P.K. Jana, F. Lied
Pattern formation of anisotropic molecules on surfaces under nonequilibrium conditions as described by a minimum model
J. Chem. Phys. 138, 214705 (2013)

S. Hopp, R. Ganapathy, S.Gerbode, A. Heuer, I. Cohan
Entropy driven crystal formation on highly strained substrates
PNAS 110 (2013) 9301-9304 (2013)

D. Hakobyan, A. Heuer
Phase Separation in a Lipid/Cholesterol System: Comparison of Coarse-grained and United-atom Simulations
J. Phys. Chem. B 2013, 117, 3841−3851 (2013)

P.K. Jana, A. Heuer
Deposition of model chains on surfaces: anomalous relation between flux and stability
J. Chem. Phys 138/12, 124708/1-124708/7 (2013)

D. Diddens, A. Heuer
Lithium Ion Transport Mechanism in Ternary Polymer Electrolyte-Ionic Liquid Mixtures - A Molecular Dynamics Simulation Study
ACS Macro Letters 2, 322-326 (2013)

A. Heuer, C. Rehwald, C.F.E. Schroer
The energy landscape of supercooled liquids: a tool to understand linear and non-linear response
AIP Conference Proceedings 1518, 110-120 (2013)

C.F.E. Schroer, A. Heuer
Anomalous diffusion of driven particles in supercooled liquids
arXiv:1210.1081 Phys. Rev. Lett. 110, 067801 (2013)

C. Hentschel, H. Wagner, J. Smiatek, A. Heuer, H. Fuchs, X. Zhang, A. Studer, L. Chi
AFM-Based Force Spectroscopy on Polystyrene Brushes: Effect of Brush Thickness on Protein Adsorption
Langmuir 29, 1850-1856 (2013)

J. Smiatek, H. Wagner, C. Hentschel, L. Chi, A. Studer, A. Heuer
Coat thickness dependent protein adsorption at hydrophobic polymer brushes – a combined experimental and theoretical study
J. Chem. Phys. 138, 044904 (2013)

C.F.E. Schroer, A. Heuer
Microrheology of supercooled liquids in terms of a continuous time random walk
J. Chem. Phys. 138, 12A518 (2013)

I. Ladadwa, A. Heuer
Nonlinear Response and Crowding Effects in Microrheology
Phys. Rev. E 87, 012302 (2013)

2012

A. Heuer, O. Rubner
How does the past of a soccer match influence its future?
PLoS ONE 7/11, e47678 (2012)

C. Rehwald, A. Heuer
How coupled elementary units determine the dynamics of macroscopic glass-forming systems
arXiv:1209.5515v1 Phys. Rev. E, 86, 051504 (2012)

P.K. Gupta, A. Heuer
Physics of the iso-structural viscosity
J. Non-Cryst. Solids 358, 3551-3558 (2012) doi:10.1016/j.jnoncrysol.2012.02.038 (2012)

S. F. Hopp, A. Heuer
Anisotropic behavior of organic molecules on prepatterned surfaces
J. Chem. Phys. 136/15, 154106 (2012)

F. Lied, T. Mues, W. Wang, L. Chi, A. Heuer
Different growth regimes on prepatterend surfaces: consistent evidence
from simulations and experiments
J. Chem. Phys. 136, 024704 (2012)

J. Smiatek, D. Liu, A. Heuer
High temperature unfolding simulations of a single stranded DNA i-motif
Curr. Phys. Chem. 2, 115-123 (2012)

2011

J. Smiatek, R. K. Harishchandra, O. Rubner, H.-J. Galla, A. Heuer
Properties of compatible solutes in aqueous solution.
Biophys. Chem. 160, 62-68 (2011)

J. Smiatek, C. Chen, D. Liu, A. Heuer
Stable Conformations of a Single Stranded Deprotonated DNA i-Motif
J. Phys. Chem. B 115 (46), 13788–13795 (2011)

D. Diddens, M. Brodeck, A. Heuer
Microscopic understanding of the complex polymer dynamics in a blend — A molecular-dynamics simulation study
Europhys. Lett 95, 56003 (2011)

J. Smiatek, A. Heuer
Calculation of free energy landscapes:A Histogram Reweighted Metadynamics approach
arXiv: 1006.4308v1, J. Computational Chemistry 32/10, 2084-2096 (2011)

A. Heuer, C. Müller, O. Rubner, N. Hagemann, B. Strauss
Usefulness of Dismissing and Changing the Coach in Professional Soccer
PLoS ONE 6/3, e17664 (2011)

G. Diezemann, A. Heuer
Memory effects in the relaxation of the Gaussian trap model
arXiv: 1102.0411, Physical Review E 83, 031505 (2011)

2010

S. Röthel, R. Friedrich, L. Lühning, A. Heuer
Theoretical description of ion conduction in disordered systems: from linear to nonlinear response
Z. Phys. Chemie 224, 1855-1889 (2010)

A. Heuer, M. Kastner, A.K. Hartmann, M. Weigel
Wanderungen in Energielandschaften. Ein Schlüssel zum Verständnis komplexer Systeme
Physik Journal 12/10, 35-40 (2010)

A. Winkler, G. Alsmeyer, O. Rubner, A. Heuer
Entropy of the hard-core model
Physical Review E 82, 021502 (2010)

D. Diddens, M. Brodeck, A. Heuer
Characterization of local dynamics and mobilities in polymer melts - a simulation study
Europhys Lett. 91, 66005 ( 2010)

C. Rehwald, N. Gnan, A. Heuer, T. Schröder, J. C. Dyre, G. Diezemann
Aging effects manifested in the potential energy landscape of a model glass former
Phys. Rev. E 82, 021503 (2010)

T. Mues, M. Burger, I. Lubashevsky, A. Heuer
A model of oscillatory zoning in two dimensions: simulation and mode analysis
Phys. Rev. E 81, 051605 ( 2010)

C. Rehwald, O. Rubner, A. Heuer
From coupled elementary units to the complexity of the glass transition
arXiv: 1003.0781v1
Phys. Rev. Lett. 105, 117801 (2010)

H. Lammert, A. Heuer
Simplified interpretation of transport in disordered inorganic ion conductors from vacancy dynamics
Phys. Rev. Lett. 104, 125901 (2010)

D. Diddens, A. Heuer, O. Borodin
Understanding the lithium transport within a rouse-based model for a PEO/LITFSI polymer electrolyte
Macromolecules 43(4), 2028-2036 (2010)

A. Heuer, C. Müller, O. Rubner
Soccer: is scoring goals a predictable poissonian process?
Europhys. Lett 89, 38007 (2010)

I. Lubashevsky, A. Heuer, R. Friedrich, R. Usmanov
Continuous Markovian model for Levy random walks with superdiffuse and superballistic regimes
arxiv: 1005.4768
Eur. Phys. J. B., 1-10 (2010)

S. F. Hopp, A. Heuer
Kinetic Monte Carlo study of nucleation processes on patterned surfaces
J. Chem. Phys. 133, 204101 (2010)

2009

R. Vogl, A. Gildhorn, J. Lorenz, A. Heuer
Integriertes Informationsmanagement an der Westfälischen Wilhelms-Universität Münster
PIK 32/1, 16-23 (2009)

H. Lammert, R. D. Banhatti, A. Heuer
The cationic energy landscape in alkali silicate glasses: properties and relevance
J. Chem. Phys. 131, 224708 (2009)

R. D. Banhatti, A. Heuer
A schematic model for multi particledynamics in ion transport: from mean field to non-mean field effects
Z. Phys. Chem. 223, 1259-1272 (2009)

F. Kalischewski, A. Heuer
Dynamic effects on the loss of control in template-directed nucleation
Phys Rev B 80, 155421 (2009)

I. Lubashevsky, R. Friedrich, A. Heuer
Continuous-time multidimensional Markovian description of Levy walks
Phys Rev E 80, 031148 (2009)

I. Lubashevsky, R. Friedrich, A. Heuer, A. Ushakov
Generalized superstatistics of nonequilibrium Markovian systems
Physica A 388, 4535-4550 (2009)

A. Heuer, O. Rubner
Fitness, chance and myths: an objective view on soccer results
Eur. Phys. J. B 67, 445-458 (2009)

I. Lubashevsky, R. Friedrich, A. Heuer
Realisation of Levy flights as continuous processes
Phys. Rev. E 79, 011110 (2009)

2008

I. Lubashevsky, T. Mues, A. Heuer
Different routes towards oscillatory zoning in the growth of solid solutions
Phys. Rev. E 78, 041606 (2008)

F. Kalischewski, J. Zhu, A. Heuer
Loss of control in pattern-directed nucleation: a theoretical study
Phys. Rev. B 78, 155401 (2008)

A. Maitra, A. Heuer
Understanding correlation effects for ion conduction in polymer electrolytes
J. Phys. Chem. B 112, 9641-9651 (2008)

A. Heuer
Exploring the potential energy landscape of glass-forming systems: from inherent structures via metabasins to macroscopic transport
J. Phys.: Cond. Mat. 20, 373101-373157 (2008)

B. Roling, S. Murguval, A. Heuer, L. Lühning, R. Friedrich, S. Röthel
Field-dependent ion transport in disordered solid electrolytes
Phys. Chem. Chem. Phys. 10, 4211-4226 (2008)

O. Rubner, A. Heuer
From elementary steps to structural relaxation: A continuous-time random-walk analysis of a supercooled liquid
Phys. Rev. E 78, 011504 (2008)

A. Heuer, A. Saeksangwijit
Properties of ideal Gaussian glass-forming systems
Phys. Rev. E 77, 061507 (2008)

2007

A. Maitra, A. Heuer
Understanding Segmental Dynamics in Polymer Electrolytes: A Computer Study
Macromolecular Chemistry & Physics 208, 2215-2221 (2007)

W. C. Wang, D. Y. Zhong, J. Zhu, F. Kalischewski, R. F. Dou, K. Wedeking, Y. Wang, A. Heuer, H. Fuchs, G. Erker and L. F. Chi
Patterned nucleation control in vacuum deposition of organic molecules
Phys. Rev. Lett. 98, 225504 (2007)

A. Maitra, A. Heuer
Cation transport in polymer electrolytes: a microscopic Approach
Phys. Rev. Lett. 98, 227802 (2007)

A. Saksaengwijit, A. Heuer
Finite-size effects in silica: a landscape perspective
J. Phys. C: Cond. Mat. 19, 205143 (2007)

F. Kalischewski, I. Lubashevsky, A. Heuer
Boundary-reaction-diffusion model for the description of oscillatory zoning in binary crystals grown from solution
Phys. Rev. E 75, 021601/1-12 (2007)

2006

J. Reinisch, A. Heuer
Microscopic description of the low-temperature anomalies in silica and lithium silicate via computer simulations
J. Ph. Chem. B 110, 19044-19052 (2006)

A. Saksaengwijit, A. Heuer
The Origin of the Decoupling of Oxygen and Silicon Dynamics in Liquid Silica as Expressed by its Potential Energy Landscape
Phys. Rev. E 74, 051502/1-8 (2006)
 
A. Saksaengwijit, A. Heuer
Dynamics of liquid silica as explained by properties of the potential energy landscape
Phys. Rev. E 73, 061503/1-4 (2006)

K. Saalwächter, A. Heuer
Chain dynamics in elastomers as investigated by proton multiple-quantum NMR
Macromolecules 39 3291-3303 (2006)

M. Vogel, C. Brinkmann, H. Eckert, A. Heuer
On the lifetime of dynamical heterogeneities associated with the ionic jump motion in glasses: Results from molecular dynamics simulations and NMR experiments
J. Non-Cryst. Solids 352, 5156-5163 (2006)

M. Kunow, A. Heuer
Non-linear Ionic Conductivity of a disordered Material Studied via Molecular Dynamics Simulations
J. Chem. Phys. 124, 214703/1-7 (2006)

C. Brinkmann, S. Faske, M. Vogel, T. Nilges, A. Heuer, H. Eckert
Silver ion dynamics in the Ag5Te2Cl-polymorphs revealed by solid state NMR lineshape and two- and three-time correlation spectroscopies
Phys. Chem. Chem. Phys. 8, 369-378 (2006)

2005

H. Lammert, A. Heuer
Contributions to the mixed-alkali effect in molecular dynamics simulations of alkali silicate glasses
Phys. Rev. B 72, 214202/1-9 (2005)

A. Heuer, S. Murugavel, B. Roling
Nonlinear ionic conductivity of thin solid electrolyte samples: Comparison between theory and experiment
Phys. Rev. B 72, 174304/1-7 (2005)

J. Reinisch, A. Heuer
What is Moving in Silica at 1K? A Computer Study of the Low Temperature Anomalies
Phys. Rev. Lett. 95, 155502/1-4 (2005)

A. Heuer, B. Doliwa, A. Saksaengwijit
Potential-energy landscape of a supercooled liquid and its resemblance to a collection of traps
Phys. Rev. E 72, 021503/1-13 (2005)

U. Voigt, H. Lammert, H. Eckert, A. Heuer
Cation clustering in lithium silicate glasses: Quantitative description by solid-state NMR and molecular dynamics simulations
Phys. Rev. B 72, 064207/1-11 (2005)

M. Kunow, A. Heuer
Coupling of ion and network dynamics in lithium silicate glasses: a computer study
Phys. Chem. Chem. Phys. 7, 2131-2137 (2005)

M. Wind, L. Brombacher, A. Heuer, R. Graf and H.W. Spiess,
13C Solid State NMR Investigation of Structural Relaxation of the Polymer Backbone in Poly (n-Alkylmethacrylates)
Solid State NMR 27, 132-139 (2005)

2004

A. Heuer, H. Lammert, M. Kunow
How Relevant is the Network dynamics for the Alkali Diffusion in Alkali Silicate Glasses?
Z. Phys. Chem. 218, 1429-1438 (2004)

A. Saksaengwijit, J. Reinisch, A. Heuer
The origin of the fragile-to-strong crossover in liquid silica as expressed by its potential energy landscape
Phys. Rev. Lett. 93, 235701/1-4 (2004)

J. Reinisch, A. Heuer
How Cooperative are the Dynamics in Tunneling Systems? A Computer Study for an Atomic Model Glass
J. Low Temp. Phys. 137, 267-278 (2004)

J. Reinisch, A. Heuer
Local Properties of the Potential Energy Landscape of a Model Glass: Understanding the Low Temperature Anomalies
Phys. Rev. B 70, 064201/1-8 (2004)

H. Lammert, A. Heuer
Emergence of Conduction Channels in Lithium Silicate
Phys. Rev. B 70, 024204/1-5 (2004)
 
M. Vogel, C. Brinkmann, H. Eckert, A. Heuer
Origin of non-exponential relaxation in a crystalline ionic conductor: a multidimensional 109Ag NMR study
Phys. Rev. B 69, 094302/1-5 (2004)

M. Vogel, B. Doliwa, A. Heuer, S.C. Glotzer
Particle rearrangements due to transitions between inherent structures of a supercooled Lennard-Jones liquid
J. Chem. Phys. 120, 4404-4414 (2004)

before 2004

2003

B. Doliwa, A. Heuer
What Does the Potential Energy Landscape Tell Us about the Dynamics of Supercooled Liquids and Glasses?
Phys. Rev. Lett. 91, 235501/1-4 (2003)

M. Wind, R. Graf, A. Heuer, H.W. Spiess
Structural relaxation of polymers at the glass transition: Conformational memory in poly(n-alkylmethacrylates
Phys. Rev. Lett. 91, 155702/1-4 (2003)

H. Lammert, M. Kunow, A. Heuer
Complete identification of alkali sites in ion conducting lithium silicate glasses: a computer study
Phys. Rev. Lett. 90, 215901/1-4 (2003)

M. Kunow, A. Heuer
A simple harmonic model as a caricature for mismatch and relaxation effects for ion hopping dynamics in solid electrolytes
J. Chem. Phys. 119, 2338-2347 (2003)

A. Saksaengwijit, B. Doliwa, A. Heuer
Description of the dynamics in complex energy landscapes via metabasins: a simple model study
J. Phys. C: Cond. Mat. 15, S1237-S1242 (2003)

B. Doliwa, A. Heuer
Finite-size effects in a supercooled liquid
J. Phys. C: Cond. Mat. 15, S849-S858 (2003)

B. Doliwa, A. Heuer
Energy Barriers and Activated Dynamics in a Supercooled Lennard-Jones Liquid
Phys. Rev. E 67, 031506/1-16 (2003)

B. Doliwa, A. Heuer
Hopping in a Supercooled Lennard-Jones Liquid: Metabasins, Waiting Time Distribution, and Diffusion
Phys. Rev. E 67, 030501/1-4 (2003)

H. Eckert, A. Heuer
Mit Spektrometern und Computern: Von der Schmelze in das Glas - Auf der Suche nach Ordnung
Forschungsjournal WWU Münster 12, 48-54 (2003)

2002

M. Vogel, C. Brinkmann, H. Eckert, A. Heuer
Two-Dimensional 109Ag NMR and Random-Walk Simulation Studies of Silver Dynamics in Glassy Silver Ion Conductors
Solid State Nuclear Magnetic Resonance 22, 344-362 (2002)

A. Heuer, M. Kunow, M. Vogel, R.D. Banhatti
Backward correlations and dynamic heterogeneities: a computer study of ion dynamics
Phys. Rev. B 66, 224201/1-224201/11 (2002)

J. Reinisch, A. Heuer
Simple lattice-models of ion conduction: Counter ion model versus random energy model
Phys. Rev. B 66, 064301 (2002)

A. Heuer, M. Kunow, M. Vogel, R.D. Banhatti
Characterization of the complex ion dynamics in lithium silicate glasses via computer simulations
Phys. Chem. Chem. Phys. 4, 3185-3192 (2002)

M. Vogel, C. Brinkmann, H. Eckert, A. Heuer
Silver dynamics in silver iodide/ silver phosphate glasses studied by multi-dimensional 109Ag NMR
Phys. Chem. Chem. Phys. 4, 3237-3245 (2002)

M. Vogel, C. Brinkmann, H. Eckert, A. Heuer
Silver dynamics in crystalline and glassy silver ion conductors by one- and two-dimensional ¹⁰⁹Ag NMR
J. Non-Cryst. Solids 307-310, 971-980 (2002)

B. Doliwa, A. Heuer
How do dynamic heterogeneities evolve in time?
J. Non-Cryst. Solids 307-310, 32-39 (2002)

S. Reinsberg, A. Heuer, B. Doliwa, H. Zimmermann, H.W. Spiess
Comparative Study of the NMR Length Scale of Dynamic Heterogeneities of Three Different Glass Formers
J. Non-Cryst. Solids, J. Non-Cryst. Solids 307-310, 208-214 (2002)

2001

R. Banhatti, A. Heuer
Structure and dynamics of lithium silicate melts: molecular dynamics simulations
Phys. Chem. Chem. Phys. 3, 5104-5108 (2001)

2000

T. Dollase, R. Graf, A. Heuer, H.W. Spiess
Local Order and Chain Dynamics in Molten Polymer Blocks Revealed by Proton Double-Quantum NMR
Macromolecules 34, 298-309 (2000)

J. Qian, A. Heuer
Exchange Rates of Dynamic Heterogeneities in a Glass-Forming Liquid
Europ. Phys. J. B 18. 501-505 (2000)

R. Faller, F. Mueller-Plathe, A. Heuer
Local Reorientation Dynamics of Semiflexible Polymers in the Melt
Macromolecules 33, 6602-6610 (2000)

B. Doliwa, A. Heuer
Cooperativity and Spatial Correlations near the Glass Transition: Computer Simulation Results for Hard Spheres and Discs
Phys. Rev. E 61, 6898 - 6908 (2000)

S. Buechner, A. Heuer
Why is the density of inherent structures of a Lennard-Jones type system gaussian?
J. Phys. C: Condens. Matt. 12, 6535-6541 (2000)

S. Buechner, A. Heuer
Metastable states as a key to the dynamics of glass forming Liquids
Phys. Rev. Lett. 84, 2168-2171 (2000)

1999

J. Qian, R. Hentschke, A. Heuer
On the Origin of Dynamic Heterogeneities in Glass-forming Liquids
J. Chem. Phys. 111, 10177-10182 (1999)

U. Tracht, A. Heuer, S. Reinsberg, H.W. Spiess
The Rate Memory of a Polymer Close to Tg as Elucidated by Reduced 4D NMR Echo Experiments
Appl. Magn. Res. 17, 227-241 (1999)

U. Tracht, M. Wilhelm, A. Heuer, H.W. Spiess
Combined reduced 4D exchange and spin diffusion experiment for determining the length scale of dynamic Heterogeneities
J. Magn. Res. A 140, 460-470 (1999)

S. Buechner, A. Heuer
Potential energy landscape of a model glass former: thermodynamics, anharmonicities, and finite size effects
Phys. Rev. E 60, 6507-6518 (1999)

D. van Dusschoten, U. Tracht, A. Heuer, H.W. Spiess
Site specific rotational mobility of anhydrous glucose near the glass transition as studied by 2D echo decay 13C NMR
J. Phys. Chem. 103, 8359-8364 (1999)
 
U. Tracht, A. Heuer, H.W. Spiess
Geometry of reorientational dynamics in supercooled poly(vinyl acetate) studied by 13C 2D nuclear magnetic resonance echo experiments
J. Chem. Phys. 111, 3720-3727 (1999)

J. Preuschen, S. Menchen, M.A. Winnik, A. Heuer, H.W. Spiess
The aggregation behavior of a symmetric, fluorinated, telechelic polymer system studied by 19F NMR relaxation
Macromolecules 32, 2690-2695 (1999)

J. Qian, R. Hentschke, A. Heuer
Dynamical heterogeneities of translational and rotational motion of a molecular glass former from computer simulations
J. Chem. Phys. 110, 4514-4522 (1999)

B. Doliwa, A. Heuer
Origin of Anomalous Diffusion and Non-Gaussian Effects for Hard Spheres: Analysis of Three-Time Correlations
J. Phys. C: Condens. Matter 11, A277-A283 (1999)

A. Heuer, H.W. Spiess
Comment on Dynamics of Glass-Forming Polymers: Homogeneous versus Heterogeneous Scenario
Phys. Rev. Lett. 82, 1335 (1999)

A. Heuer, U. Tracht, S.C. Kuebler, H.W. Spiess
The orientational memory from three-time correlations in multidimensional NMR experiments
J. Molecular Structure 479, 251-259 (1999)

1998

A. Heuer
„Microscopic View of Low-Temperature Anomalies in Glasses“
in „Tunneling Systems in Amorphous and Crystalline Solids“ herausgegeben von P.D. Esquinazi, pp. 459-525 (Springer, 1998)

U. Tracht, M. Wilhelm, A. Heuer, H. Feng, K. Schmidt-Rohr, H.W Spiess
Length scale of dynamic heterogeneities at the glass transition determined by multidimensional nuclear magnetic resonance
Phys. Rev. Lett. 81, 2727-2730 (1998)

S. Büchner, A. Heuer, H.W. Spiess
The conformational statistics of polymer chains as obtained from its energy landscape: a conceptual view of the RIS approach
Macromol. Theory Simul. 7, 665-674 (1998)

R. Graf, A. Heuer, H.W. Spiess
Chain-order effects in polymer melts probed by 1H double-quantum NMR spectroscopy
Phys. Rev. Lett. 80, 5738-5741 (1998)

B. Doliwa, A. Heuer
Cage effect, local anisotropies, and dynamic heterogeneities at the glass transition: a computer study of hard spheres
Phys. Rev. Lett. 80, 4915-4918 (1998)

R. Böhmer, R.V. Chamberlin, G. Diezemann, B. Geil, A. Heuer, G. Hinze, S.C. Kuebler, R. Richert, B. Schiener, H. Sillescu, H.W. Spiess, U. Tracht, M. Wilhelm
Nature of the non-exponential primary relaxation in structural glass-formers probed by dynamically selective experiments
J. Non-Cryst. Solids 235-237, 1-9 (1998)

U. Tracht, A. Heuer, H.W. Spiess
Different dynamic filters constructed from multidimensional NMR experiments
J. Non-Cryst. Solids 235-237, 27-33 (1998)

P. Neu, R. J. Silbey, A. Heuer, S. J. Zilker, D. Haarer
Nonlogarithmic spectral diffusion in proteins and glasses
Luminescence 76&77, 619-622 (1998)

1997

A. Heuer, P. Neu
Tunneling dynamics of side chains and defects to proteins, polymer glasses, and OH-doped network glasses
J. Chem. Phys. 107, 8686-8696 (1997)

A. Heuer, U. Tracht, H.W. Spiess
Dynamic heterogeneities and cooperativity in a lattice model glass
J. Chem. Phys. 107, 3813-3820 (1997)

R. Richert, A. Heuer
Rate memory and dynamic heterogeneity of first-order reaction in a polymer matrix
Macromolecules 30, 4038-4041 (1997)

A. Heuer, S. C. Kuebler, U. Tracht, H. W. Spiess
Multidimensional NMR experiments to observe the nature of non-exponential relaxation in glasses
Applied Magn. Reson. 12, 183-191 (1997)

S.C. Kuebler, A. Heuer, H.W. Spiess
The glass transition of polymers: memory effects in structural relaxation in polystyrene
Phys. Rev. E 56, 741-749 (1997)

A. Heuer
Information content of higher-order correlation functions for the interpretation of structural relaxation in glass formers
Phys. Rev. E 56, 730-740 (1997)

A. Heuer, B. Dünweg, A. M. Ferrenberg
Considerations on Correlations in Shift-Register Pseudorandom Number Generators and Their Removal
Comp. Phys. Comm. 103, 1-9 (1997)

A. Heuer, S.C. Kuebler, U. Tracht, H.W. Spiess, K. Okun
Dynamical heterogeneities in glass-forming materials
MRS proceedings 455, 105-116 (1997)

A. Heuer
Deformation potential in glasses as a measure for disorder
Phys. Rev. B 56, 161-166 (1997)

A. Heuer
Properties of a glass-forming system as derived from its potential energy landscape
Phys. Rev. Lett. 78, 4051-4054 (1997)

A. Heuer, K. Okun
Heterogeneous and homogeneous dynamics in a simulated polymer melt: Analysis of multi-time correlation functions
J. Chem. Phys. 106, 6176-6186 (1997)

P. Neu, A. Heuer
Relaxation Dynamics of multilevel tunneling systems
J. Chem. Phys. 106, 1749-1756 (1997)

1996

S.C. Kuebler, A. Heuer, H.W. Spiess
Geometry of main chain motions in Poly(ethylmethacrylate) monitored by 3D difference correlated NMR
Macromolecules 29, 7089-7096 (1996)

A. Heuer
Microscopic nature of tunneling states in glasses
Czechoslovak Journal of Physics 46, S4, 2245-2246 (1996)

V. Pfannebecker, M. Hubrich, A. Heuer, U. Wiesner, H. Klos, H.W. Spiess
Determination of chain end distances of oligomers via DEER experiments
J. Phys. Chem. 100, 13428-13432 (1996)

A. Heuer, J. Leisen, S.C. Kuebler, H.W. Spiess
Geometry and timescale of the complex rotational dynamics of amorphous polymers at the glass transition by multidimensional NMR
J. Chem. Phys. 105, 7088-7096 (1996)

A. Heuer and R.J. Silbey
Low-temperature anomalies of glasses: what can we learn from computer simulations?
Physica B 219&220, 255-257 (1996)

A. Heuer and R. J. Silbey
Collective dynamics in glasses and its relation to the low-temperature anomalies
Phys. Rev. B 53, 609-619 (1996)

1995

J. M. Zielinski, G. Heuberger, H. Sillescu, U. Wiesner, A. Heuer, Y. Zhang, and H.W. Spiess
Diffusion of Tracer Molecules within Symmetric Diblock Copolymers
Macromolecules 28, 8287-8294 (1995)

A. Heuer, M. Wilhelm, H. Zimmermann, H.W. Spiess
Rate memory of structural relaxation in glasses and its detection by multidimensional NMR
Phys. Rev. Lett. 75, 2851-2854 (1995)

D. Dab, A. Heuer, and R. Silbey
Low temperature properties of glasses: a preliminary study of double well potentials microscopic structure
J. Luminescence 64, 95-100 (1995)

1994

A. Heuer and H. W. Spiess
Universality of the glass transition temperature
J. Non-Cryst. Solids 176, 294-298 (1994)

A. Heuer and R. Silbey
Tunneling in real structural glasses: A universal theory
Phys. Rev. B 49, 1441-1444 (1994)

1993

A. Heuer and R. Silbey
Microscopic estimation of the deformation potential in a structural model glass
Phys. Rev. B 48, 9411-9417 (1993)

A. Heuer and R. Silbey
Microscopic Description of Tunneling Systems in a Structural Model Glass
Phys. Rev. Lett. 70, 3911-3914 (1993)

A. Heuer
The influence of nonlinear interaction-terms in the spin-boson Hamiltonian for the superohmic case
J. Phys. A: Math. Gen. 26, 7181-7192 (1993)

1992

A. Heuer
Quantum mechanical behaviour of deuterated methyl groups
Z. Phys. B 88, 39-51 (1992)

1991

A. Heuer, U. Haeberlen
The dynamics of hydrogens in double well potentials: the transition of the jump rate from the low temperature quantum-mechanical to the high-temperature activated regime
J. Chem. Phys. 95, 4201-4214 (1991)

A. Heuer
A new algorithm for automatic phase correction by symmetrizing lines
J. Magn. Reson. 91, 241-253 (1991)

1990

A. Heuer
A new method for an automatic analysis of rotation patterns
J. Magn. Reson. 89, 287-296 (1990)

1989

A. Heuer and U. Haeberlen
A new method for suppressing baseline distortions in FT NMR
J. Magn. Reson. 85, 79-94 (1989)

G. Slosarek, A. Heuer, H. Zimmermann, and U. Haeberlen
A study of the paraelectric-ferroelectric phase transition of triglycine sulphate by deuteron nuclear magnetic resonance and relaxation
J. Phys.: Condens. Matter 1, 5931-5954 (1989)