Forero-Martinez, N. C.; Baumeier, B.; Kremer, K.: Backbone Chemical Composition and Monomer Sequence Effects on Phenylene Polymer Persistence Lengths. Macromolecules 52 (14), S. 5307 - 5316 (2019)

Girard, M.; Ehlen, A.; Shakya, A.; Bereau, T.; De La Cruz, M. O.: Hoobas: A highly object-oriented builder for molecular dynamics. Computational Materials Science 167, S. 25 - 33 (2019)

Greco, C.; Melnyk, A.; Kremer, K.; Andrienko, D.; Daoulas, K. C.: Generic Model for Lamellar Self-Assembly in Conjugated Polymers: Linking Mesoscopic Morphology and Charge Transport in P3HT. Macromolecules 52 (3), S. 968 - 981 (2019)

Guzman, H. V.; Tretyakov, N.; Kobayashi, H.; Fogarty, A. C.; Kreis, K.; Krajniak, J.; Junghans, C.; Kremer, K.; Stühn, T.: ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation. Computer Physics Communications 238, S. 66 - 76 (2019)

Heidari, M.; Cortes Huerto, R.; Potestio, R.; Kremer, K.: Steering a solute between coexisting solvation states: Revisiting nonequilibrium work relations and the calculation of free energy differences. The Journal of Chemical Physics 151 (14), 144105 (2019)

Heidari, M.; Satarifard, V.; Mashaghi, A.: Mapping a single-molecule folding process onto a topological space. Physical Chemistry Chemical Physics 21 (36), S. 20338 - 20345 (2019)

Hoffmann, C.; Menichetti, R.; Kanekal, K.; Bereau, T.: Controlled exploration of chemical space by machine learning of coarse-grained representations. Physical Review E 100 (3), 033302 (2019)

Hsu, H.-P.; Kremer, K.: A coarse-grained polymer model for studying the glass transition. The Journal of Chemical Physics 150 (9), 091101 (2019)

Hsu, H.-P.; Kremer, K.: Erratum: A coarse-grained polymer model for studying the glass transition [J. Chem. Phys. 150, 091101 (2019)]. The Journal of Chemical Physics 150 (15), 159902 (2019)

Jalili, K.; Abbasi, F.; Behboodpour, L.: In situ probing of switchable nanomechanical properties of responsive high-density polymer brushes on poly(dimethylsiloxane): An AFM nanoindentation approach. Journal of the Mechanical Behavior of Biomedical Materials 93, S. 118 - 129 (2019)

Jiang, tao, T.; Wang, Z.; Ruan, X.; Zhu, Y.: Equi-biaxial compressive strain in graphene: Gruneisen parameter and buckling ridges. 2D Materials 6 (1), 015026 (2019)

Kotadiya, N. B.; Mondal, A.; Blom, P. W. M.; Andrienko, D.; Wetzelaer, G.-J. A. H.: A window to trap-free charge transport in organic semiconducting thin films. Nature Materials 18 (11), S. 1182 - 1186 (2019)

Kremer, K.: Van't Hoff prize for Mischa Bonn. Bunsen-Magazin 21 (5), S. 196 - 197 (2019)

Liu, L.; Lukose, B.; Jaque, P.; Ensing, B.: Reaction mechanism of hydrogen activation by frustrated Lewis pairs. Green energy & environment 4 (1), S. 20 - 28 (2019)

Menichetti, R.; Kanekal, K.; Bereau, T.: Drug-Membrane Permeability across Chemical Space. ACS Central Science 5 (2), S. 290 - 298 (2019)

Mukherji, D.; Watson, M. D.; Morsbach, S.; Schmutz, M.; Wagner, M.; Marques, C. M.; Kremer, K.: Soft and Smart: Co-nonsolvency-Based Design of Multiresponsive Copolymers. Macromolecules 52 (9), S. 3471 - 3478 (2019)

Najafi, S.: Topological entanglement of interlocked knotted–unknotted polymer rings. Soft Matter 15 (9), S. 1916 - 1921 (2019)

Paterson, L.; Mondal, A.; Heimel, P.; Lovrincic, R.; May, F.; Lennartz, C.; Andrienko, D.: Perspectives of Unicolored Phosphor-Sensitized Fluorescence. Advanced Electronic Materials, 1900646 (2019)

Perego, C.; Potestio, R.: Searching the Optimal Folding Routes of a Complex Lasso Protein. Biophysical Journal 117 (2), S. 214 - 228 (2019)

Perego, C.; Potestio, R.: Computational methods in the study of self-entangled proteins: a critical appraisal. Journal of Physics: Condensed Matter 31 (44), 443001 (2019)