Brand, H. R.; Pleiner, H.: On the influence of a network on optically isotropic fluid phases with tetrahedral/octupolar order. European Physical Journal E 40 (3), 34 (2017)

Das, S.; Mondal, A.; Balasubramanian, S.: Recent advances in modeling green solvents. Current Opinion in Green and Sustainable Chemistry 5, pp. 37 - 43 (2017)

de Oliveira, T. E.; Mukherji, D.; Kremer, K.; Netz, P. A.: Effects of stereochemistry and copolymerization on the LCST of PNIPAm. The Journal of Chemical Physics 146 (3), 034904 (2017)

De Silva, C. C.; Leophairatana, P.; Ohkuma, T.; Koberstein, J. T.; Kremer, K.; Mukherji, D.: Sequence transferable coarse-grained model of amphiphilic copolymers. The Journal of Chemical Physics 147 (6), 064904 (2017)

Duboue-Dijon, E.; Pluharova, E.; Domin, D.; Sen, K.; Fogarty, A. C.; Cheron, N.; Laage, D.: Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent. The Journal of Physical Chemistry B 121 (29), pp. 7027 - 7041 (2017)

Fiorentini, R.; Kremer, K.; Potestio, R.; Fogarty, A. C.: Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues. The Journal of Chemical Physics 146 (24), 244113 (2017)

Fogarty, A. C.; Potestio, R.; Kremer, K.: Erratum: “Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties” [J. Chem. Phys. 142, 195101 (2015)]. The Journal of Chemical Physics 146 (4), 049901 (2017)

Franz, J.; Bereau, T.; Pannwitt, S.; Anbazhagan, V.; Lehr, A.; Nubbemeyer, U.; Dietz, U.; Bonn, M.; Weidner, T.; Schneider, D.: Nitrated Fatty Acids Modulate the Physical Properties of Model Membranes and the Structure of Transmembrane Proteins. Chemistry – A European Journal 23 (40), pp. 9690 - 9697 (2017)

Ge, T.; Kalathi, J. T.; Halverson, J. D.; Grest, G. S.; Rubinstein, M.: Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers. Macromolecules 50 (4), pp. 1749 - 1754 (2017)

Gong, L. F.; Li, W.; Osorio, E.; Wu, X. M.; Heine, T.; Liu, L.: The effects of halogen elements on the opening of an icosahedral B-12 framework. The Journal of Chemical Physics 147 (14), 144302 (2017)

Gryn'ova, G.; Nicolai, A.; Prlj, A.; Ollitrault, P.; Andrienko, D.; Corminboeuf, C.: Charge transport in highly ordered organic nanofibrils: lessons from modelling. Journal of Materials Chemistry C: Materials for Optical and Electronic Devices 5 (2), pp. 350 - 361 (2017)

Guzman, H. V.: Scaling law to determine peak forces in tapping-mode AFM experiments on finite elastic soft matter systems. Beilstein Journal of Nanotechnology 8, pp. 968 - 974 (2017)

Guzman, H. V.; Junghans, C.; Kremer, K.; Stuehn, T.: Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes. Physical Review E 96 (5), 053311 (2017)

Heidari, M.; Satarifard, V.; Tans, S. J.; Ejtehadi, M. R.; Mashaghi, S.; Mashaghi, A.: Topology of internally constrained polymer chains. Physical Chemistry Chemical Physics 19 (28), pp. 18389 - 18393 (2017)

Heydari, T.; Heidari, M.; Mashinchian, O.; Wojcik, M.; Xu, K.; Dalby, M. J.; Mahmoudi, M.; Ejtehadi, M. R.: Development of a Virtual Cell Model to Predict Cell Response to Substrate Topography. ACS Nano 11 (9), pp. 9084 - 9092 (2017)

Hsu, H.-P.; Kremer, K.: Detailed analysis of Rouse mode and dynamic scattering function of highly entangled polymer melts in equilibrium. European Physical Journal - Special Topics 226 (4), pp. 693 - 703 (2017)

Jiang, Y.; Greco, C.; Daoulas, K. C.; Chen, J. Z. Y.: Thermodynamics of a Compressible Maier-Saupe Model Based on the Self-Consistent Field Theory of Wormlike Polymer. Polymers 9 (2), 48 (2017)

Khachaturyan, R.; Wehner, J.; Genenko, Y. A.: Correlated polarization-switching kinetics in bulk polycrystalline ferroelectrics: A self-consistent mesoscopic switching model. Physical Review B 96 (5), 054113 (2017)

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, pp. 267 - 291 (2017)