Bozkurt Varolgunes, Y.; Bereau, T.; Rudzinski, J. F.: Interpretable embeddings from molecular simulations using Gaussian mixture variational autoencoders. Machine Learning: Science and Technology 1 (1), 015012 (2020)

Centi, A.; Dutta, A.; Parekh, S. H.; Bereau, T.: Inserting Small Molecules across Membrane Mixtures: Insight from the Potential of Mean Force. Biophysical Journal 118 (6), S. 1321 - 1332 (2020)

Zhao, Y.; Singh, M. K.; Kremer, K.; Cortes-Huerto, R.; Mukherji, D.: Why Do Elastin-Like Polypeptides Possibly Have Different Solvation Behaviors in Water-Ethanol and Water-Urea Mixtures? Macromolecules 53 (6), S. 2101 - 2110 (2020)

Wehner, J.; Baumeier, B.: Multiscale simulations of singlet and triplet exciton dynamics in energetically disordered molecular systems based on many-body Green's functions theory. New Journal of Physics 22 (3), 033033 (2020)

Joshi, B.; Zielbauer, B. I.; Vilgis, T. A.: Comparative Study on Mixing Behavior of Binary Mixtures of Cocoa Butter/Tristearin (CB/TS) and Cocoa Butter/Coconut Oil (CB/CO). Foods 9 (3), 327 (2020)

Mukherji, D.; Marques, C. M.; Kremer, K.: Smart Responsive Polymers: Fundamentals and Design Principles. Annual Review of Condensed Matter Physics ; Annual Reviews , Palo Alto, Calif. 11, S. 271 - 299 (2020)

Hoffmann, C.; Centi, A.; Menichetti, R.; Bereau, T.: Molecular dynamics trajectories for 630 coarse-grained drug-membrane permeations. Scientific Data 7 (1), 51 (2020)

Koch, A. H. R.; Morsbach, S.; Bereau, T.; Lévêque, G.; Butt, H.-J.; Deserno, M.; Landfester, K.; Fytas, G.: Probing Nanoparticle/Membrane Interactions by Combining Amphiphilic Diblock Copolymer Assembly and Plasmonics. The Journal of Physical Chemistry B 124 (5), S. 742 - 750 (2020)

Martínez, M.; Cooper, C. D.; Poma, A. B.; Guzman, H. V.: Free Energies of the Disassembly of Viral Capsids from a Multiscale Molecular Simulation Approach. Journal of Chemical Information and Modeling 60 (2), S. 974 - 981 (2020)

Chen, C.; Wunderlich, K.; Mukherji, D.; Koynov, K.; Heck, A.; Raabe, M.; Barz, M.; Fytas, G.; Kremer, K.; Ng, D. Y. W. et al.; Weil, T.: Precision Anisotropic Brush Polymers by Sequence Controlled Chemistry. Journal of the American Chemical Society 142 (3), S. 1332 - 1340 (2020)

Wang, Z.; Rolle, K.; Schilling, T.; Hummel, P.; Philipp, A.; Kopera, B. A. F.; Lechner, A. M.; Retsch, M.; Breu, J.; Fytas, G.: Tunable Thermoelastic Anisotropy in Hybrid Bragg Stacks with Extreme Polymer Confinement. Angewandte Chemie International Edition 59 (3), S. 1286 - 1294 (2020)

Smrek, J.; Chubak, I.; Likos, C. N.; Kremer, K.: Active topological glass. Nature Communications 11 (1), 26 (2020)

Banerjee, A.; Wales, D. J.: Fragility and correlated dynamics in supercooled liquids. The Journal of Chemical Physics 153 (12), 124501 (2020)

Brand, H. R.; Pleiner, H.: Macroscopic behavior of the distorted A and B phases and the polar phase of superfluid ³He in an anisotropic aerogel. Physical Review B 102 (9), 094510 (2020)

Girard, M.; Bereau, T.: Regulating Lipid Composition Rationalizes Acyl Tail Saturation Homeostasis in Ectotherms. Biophysical Journal 119 (5), S. 892 - 899 (2020)

Halder, A.; Kumar, S.; Valsson, O.; Reddy, G. N. M.: Mg²⁺ Sensing by an RNA Fragment: Role of Mg²⁺-Coordinated Water Molecules. Journal of Chemical Theory and Computation 16 (10), S. 6702 - 6715 (2020)

Hsu, H.-P.; Kremer, K.: Efficient equilibration of confined and free-standing films of highly entangled polymer melts. The Journal of Chemical Physics 153 (14), 144902 (2020)

Kim, S.; Melnyk, A.; Andrienko, D.; Suzuki, Y.: Solid-State Electron Affinity Analysis of Amorphous Fluorinated Polymer Electret. The Journal of Physical Chemistry B 124 (46), S. 10507 - 10513 (2020)

Liu, C.; Brandenburg, J. G.; Valsson, O.; Kremer, K.; Bereau, T.: Free-energy landscape of polymer-crystal polymorphism. Soft Matter 16 (42), S. 9683 - 9692 (2020)

Paterson, L.; May, F.; Andrienko, D.: Computer aided design of stable and efficient OLEDs. Journal of Applied Physics 128 (16), 160901 (2020)