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Huang, A. Q.; Hsu, H.-P.; Bhattacharya, A.; Binder, K.: Semiflexible macromolecules in quasi-one-dimensional confinement: Discrete versus continuous bond angles. The Journal of Chemical Physics 143 (24), 243102 (2015)

Jakobsen, S.; Bereau, T.; Meuwly, M.: Multipolar force fields and their effects on solvent dynamics around simple solutes. The Journal of Physical Chemistry B 119 (7), pp. 3034 - 3045 (2015)

Kahlen, J.; Peter, C.; Donadio, D.: Molecular simulation of oligo-glutamates in a calcium-rich aqueous solution: insights into peptide-induced polymorph selection. CrystEngComm 17 (36), pp. 6863 - 6867 (2015)

Kordt, P.; Stodtmann, S.; Badinski, A.; Al Helwi, M.; Lennartz, C.; Andrienko, D.: Parameter-free continuous drift-diffusion models of amorphous organic semiconductors. Physical Chemistry Chemical Physics 17 (35), pp. 22778 - 22783 (2015)

Kordt, P.; van der Holst, J. J. M.; Al Helwi, M.; Kowalsky, W.; May, F.; Badinski, A.; Lennartz, C.; Andrienko, D.: Modeling of Organic Light Emitting Diodes: From Molecular to Device Properties. Advanced Functional Materials 25 (13), pp. 1955 - 1971 (2015)

Koschke, K.; Limbach, H. J.; Kremer, K.; Donadio, D.: Freezing point depression in model Lennard-Jones solutions. Molecular Physics 113 (17-18), pp. 2725 - 2734 (2015)

Kreis, K.; Fogarty, A. C.; Kremer, K.; Potestio, R.: Reply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations. European Physical Journal 224 (12), pp. 2505 - 2506 (2015)

Kreis, K.; Fogarty, A. C.; Kremer, K.; Potestio, R.: Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations. European Physical Journal 224 (12), pp. 2289 - 2304 (2015)

Laquai, F.; Andrienko, D.; Mauer, R.; Blom, P. W. M.: Charge Carrier Transport and Photogeneration in P3HT:PCBM Photovoltaic Blends. Macromolecular Rapid Communications 36 (11), pp. 1001 - 1025 (2015)

Laroze, D.; Pleiner, H.: Thermal convection in a nonlinear non-Newtonian magnetic fluid. Communications in Nonlinear Science and Numerical Simulation 26 (1-3), pp. 167 - 183 (2015)

Li, Q.; Duchemin, I.; Xiong, S.; Solomon, G. C.; Donadio, D.: Mechanical Tuning of Thermal Transport in a Molecular Junction. The Journal of Physical Chemistry C 119 (43), pp. 24636 - 24642 (2015)

Mashayak, S. Y.; Jochum, M. N.; Koschke, K.; Aluru, N. R.; Rühle, V.; Junghans, C.: Relative Entropy and Optimization-Driven Coarse-Graining Methods in VOTCA. PLoS One 10 (7), e0131754 (2015)

Moreira, L. A.; Zhang, G.; Müller, F.; Stuehn, T.; Kremer, K.: Direct Equilibration and Characterization of Polymer Melts for Computer Simulations. Macromolecular Theory and Simulations 24 (5 ), pp. 419 - 431 (2015)

Mukherji, D.; Marques, C. M.; Stuehn, T.; Kremer, K.: Co-non-solvency: Mean-field polymer theory does not describe polymer collapse transition in a mixture of two competing good solvents. The Journal of Chemical Physics 142 (11), 114903 (2015)

Najafi, S.; Potestio, R.: Two Adhesive Sites Can Enhance the Knotting Probability of DNA. PLoS One 10 (7), e0132132 (2015)

Najafi, S.; Potestio, R.: Folding of small knotted proteins: Insights from a mean field coarse-grained model. The Journal of Chemical Physics 143 (24), 243121 (2015)

Neogi, S.; Donadio, D.: Thermal transport in free-standing silicon membranes: influence of dimensional reduction and surface nanostructures. European Physical Journal B 88, 73 (2015)

Neogi, S.; Reparaz, J. S.; Pereira, L. F. C.; Graczykowski, B.; Wagner, M. R.; Sledzinska, M.; Shchepetov, A.; Prunnila, M.; Ahopelto, J.; Sotomayor-Torres, C. M. et al.; Donadio, D.: Tuning Thermal Transport in Ultrathin Silicon Membranes by Surface Nanoscale Engineering. ACS Nano 9 (4), pp. 3820 - 3828 (2015)

Poelking, C.; Andrienko, D.: Design Rules for Organic Donor-Acceptor Heterojunctions: Pathway for Charge Splitting and Detrapping. Journal of the American Chemical Society 137 (19), pp. 6320 - 6326 (2015)