Kreis, K.; Kremer, K.; Potestio, R.; Tuckerman, M. E.: From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics. The Journal of Chemical Physics 147 (24), 244104 (2017)

Laquai, F.; Andrienko, D.; Deibel, C.; Neher, D.: Charge Carrier Generation, Recombination, and Extraction in Polymer-Fullerene Bulk Heterojunction Organic Solar Cells. Advances in Polymer Science 272, S. 267 - 291 (2017)

Martin Sabanes, N.; Ohto, T.; Andrienko, D.; Nagata, Y.; Domke, K. F.: Electrochemical TERS Elucidates Potential-Induced Molecular Reorientation of Adenine/Au(111). Angewandte Chemie International Edition 56 (33), S. 9796 - 9801 (2017)

Melnyk, A.; Junk, M. J. N.; McGehee, M. D.; Chmelka, B. F.; Hansen, M. R.; Andrienko, D.: Macroscopic Structural Compositions of pi-Conjugated Polymers: Combined Insights from Solid-State NMR and Molecular Dynamics Simulations. The Journal of Physical Chemistry Letters 8 (17), S. 4155 - 4160 (2017)

Menichetti, R.; Kanekal, K.; Kremer, K.; Bereau, T.: In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force. The Journal of Chemical Physics 147 (12), 125101 (2017)

Menichetti, R.; Pelissetto, A.; Randisi, F.: Thermodynamics of star polymer solutions: A coarse-grained study. The Journal of Chemical Physics 146 (24), 244908 (2017)

Mukherjee, B.; Peter, C.; Kremer, K.: Single molecule translocation in smectics illustrates the challenge for time-mapping in simulations on multiple scales. The Journal of Chemical Physics 147 (11), 114501 (2017)

Mukherji, D.; Kremer, K.: How does poly(N-isopropylacrylamide) trigger phase separation in aqueous alcohol? Polymer Science, Series C 59 (1), S. 119 - 124 (2017)

Mukherji, D.; Marques, C. M.; Stuehn, T.; Kremer, K.: Depleted depletion drives polymer swelling in poor solvent mixtures. Nature Communications 8, 1374 (2017)

Mukherji, D.; Wagner, M.; Watson, M. D.; Winzen, S.; de Oliveira, T. E.; Marques, C. M.; Kremer, K.: Reply to the 'Comment on "Relating side chain organization of PNIPAm with its conformation in aqueous methanol''' by N. van der Vegt and F. Rodriguez-Ropero, Soft Matter, 2017, 13, DOI: 10.1039/C6SM02139E. Soft Matter 13 (12), S. 2292 - 2294 (2017)

Mukherji, D.; Wagner, M.; Watson, M. D.; Winzen, S.; de Oliveira, T. E.; Marques, C. M.; Kremer, K.: Reply to the 'Comment on "Relating side chain organization of PNIPAm with its conformation in aqueous methanol''' by A. Pica and G. Graziano, Soft Matter, 2017, 13, DOI: 10.1039/C7SM01065F. Soft Matter 13 (42), S. 7701 - 7703 (2017)

Ohkuma, T.; Kremer, K.: Comparison of two coarse-grained models of cis-polyisoprene with and without pressure correction. Polymer 130, S. 88 - 101 (2017)

Palazzesi, F.; Valsson, O.; Parrinello, M.: Conformational Entropy as Collective Variable for Proteins. The Journal of Physical Chemistry Letters 8 (19), S. 4752 - 4756 (2017)

Peköz, R.; Donadio, D.: Dissociative Adsorption of Water at (211) Stepped Metallic Surfaces by First-Principles Simulations. The Journal of Physical Chemistry C 121 (31), S. 16783 - 16791 (2017)

Perez, L. M.; Bragard, J.; Diaz, P.; Mancini, H. L.; Laroze, D.; Pleiner, H.: Magneto-viscous effect on thermal convection thresholds in an Oldroyd magnetic fluid. Journal of Magnetism and Magnetic Materials 444, S. 432 - 438 (2017)

Potisk, T.; Svensek, D.; Brand, H. R.; Pleiner, H.; Lisjak, D.; Osterman, N.; Mertelj, A.: Dynamic Magneto-optic Coupling in a Ferromagnetic Nematic Liquid Crystal. Physical Review Letters 119 (9), 097802 (2017)

Radu, M.; Kremer, K.: Enhanced Crystal Growth in Binary Lennard-Jones Mixtures. Physical Review Letters 118 (5), 055702 (2017)

Riegger, A.; Chen, C.; Zirafi, O.; Daiss, N.; Mukherji, D.; Walter, K.; Tokura, Y.; Stöckle, B.; Kremer, K.; Kirchhoff, F. et al.; Ng, D. Y. W.; Hermann, P. C.; Münch, J.; Weil, T.: Synthesis of Peptide-Functionalized Poly(bis-sulfone) Copolymers Regulating HIV-1 Entry and Cancer Stem Cell Migration. ACS Macro Letters 6 (3), S. 241 - 246 (2017)

Rudzinski, J. F.; Lu, K.; Milner, S. T.; Maranas, J. K.; Noid, W. G.: Extended Ensemble Approach to Transferable Potentials for Low Resolution Coarse-Grained Models of Ionomers. Journal of Chemical Theory and Computation 13 (5), S. 2185 - 2201 (2017)

Sanchez, M. A.; Kling, T.; Ishiyama, T.; van Zadel, M.-J.; Bisson, P. J.; Mezger, M.; Jochum, M. N.; Cyran, J. D.; Smit, W. J.; Bakker, H. J. et al.; Shultz, M. J.; Morita, A.; Donadio, D.; Nagata, Y.; Bonn, M.; Backus, E. H. G.: Experimental and theoretical evidence for bilayer-by-bilayer surface melting of crystalline ice. Proceedings of the National Academy of Sciences of the United States of America 114 (2), S. 227 - 232 (2017)