Cazade, P. A.; Tran, H.; Bereau, T.; Das, A. K.; Kläsi, F.; Hamm, P.; Meuwly, M.: Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study. The Journal of Chemical Physics 142 (21), 212415 (2015)

Chaimovich, A.; Peter, C.; Kremer, K.: Relative resolution: A hybrid formalism for fluid mixtures. The Journal of Chemical Physics 143 (24), 243107 (2015)

Cortes-Huerto, R.; Goniakowski, J.; Noguera, C.: Role of the environment in the stability of anisotropic gold particles. Physical Chemistry Chemical Physics 17 (9), pp. 6305 - 6313 (2015)

Craco, L.; Selli, D.; Seifert, G.; Leoni, S.: Revealing the hidden correlated electronic structure of strained graphene. Physical Review B 91 (20 ), 205120 (2015)

de Oliveira, T. E.; Netz, P. A.; Mukherji, D.; Kremer, K.: Why does high pressure destroy co-non-solvency of PNIPAm in aqueous methanol? Soft Matter 11 (44), pp. 8599 - 8604 (2015)

Debnath, A.; Wiegand, S.; Paulsen, H.; Kremer, K.; Peter, C.: Derivation of coarse-grained simulation models of chlorophyll molecules in lipid bilayers for applications in light harvesting systems. Physical Chemistry Chemical Physics 17 (34), pp. 22054 - 22063 (2015)

Egorov, S. A.; Hsu, H.-P.; Milchev, A.; Binder, K.: Semiflexible polymer brushes and the brush-mushroom crossover. Soft Matter 11 (13), pp. 2604 - 2616 (2015)

Espanol, P.; Delgado-Buscalioni, R.; Everaers, R.; Potestio, R.; Donadio, D.; Kremer, K.: Statistical mechanics of Hamiltonian adaptive resolution simulations. The Journal of Chemical Physics 142 (6 ), 064115 (2015)

Etzold, F.; Howard, I. A.; Forler, N.; Melnyk, A.; Andrienko, D.; Hansen, M. R.; Laquai, F.: Sub-ns triplet state formation by non-geminate recombination in PSBTBT: PC70BM and PCPDTBT:PC60BM organic solar cells. Energy & Environmental Science 8 (5), pp. 1511 - 1522 (2015)

Fan, Z. Y.; Pereira, L. F. C.; Wang, H. Q.; Zheng, J. C.; Donadio, D.; Harju, A.: Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations. Physical Review B 92 (9), 094301 (2015)

Fogarty, A. C.; Potestio, R.; Kremer, K.: Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties. The Journal of Chemical Physics 142 (19 ), 195101 (2015)

Gemünden, P.; Daoulas, K. C.: Fluctuation spectra in polymer nematics and Frank elastic constants: a coarse-grained modelling study. Soft Matter 11 (3), pp. 532 - 544 (2015)

Gemünden, P.; Poelking, C.; Kremer, K.; Daoulas, K.; Andrienko, D.: Effect of Mesoscale Ordering on the Density of States of Polymeric Semiconductors. Macromolecular Rapid Communications 36 (11), pp. 1047 - 1053 (2015)

Greco, C.; Ferrarini, A.: Entropy-Driven Chiral Order in a System of Achiral Bent Particles. Physical Review Letters 115 (14 ), 147801 (2015)

Heinrich, G.; Vilgis, T. A.: A statistical mechanical approach to the Payne effect in filled rubbers. Express Polymer Letters 9 (3), pp. 291 - 299 (2015)

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)