Wehner, J.; Brombacher, L.; Brown, J.; Junghans, C.; Caylak, O.; Khalak, Y.; Madhikar, P.; Tirimbo, G.; Baumeier, B.: Electronic Excitations in Complex Molecular Environments: Many-Body Green's Functions Theory in VOTCA-XTP. Journal of Chemical Theory and Computation 14 (12), S. 6253 - 6268 (2018)

Zhang, J.; Mukherji, D.; Kremer, K.; Daoulas, K.: Studying polymer solutions with particle-based models linked to classical density functionals: co-non-solvency. Soft Matter 14 (45), S. 9282 - 9295 (2018)

Zhang, K.; Marszalek, T.; Wucher, P.; Wang, Z.; Veith, L.; Lu, H.; Räder, H. J.; Beaujuge, P. M.; Blom, P.; Pisula, W.: Crystallization Control of Organic Semiconductors during Meniscus-Guided Coating by Blending with Polymer Binder. Advanced Functional Materials 28 (50), 1805594 (2018)

Zielbauer, B. I.; Jackson, A. J.; Maurer, S.; Waschatko, G.; Ghebremedhin, M.; Rogers, S. E.; Heenan, R. K.; Porcar, L.; Vilgis, T. A.: Soybean oleosomes studied by small angle neutron scattering (SANS). Journal of Colloid and Interface Science 529, S. 197 - 204 (2018)

Andrienko, D.: Modeling of organic light emitting diodes: from molecular to device properties. International Conference on Numerical Simulation of Optoelectronic Devices, S. 101 - 102 (2017)

Backes, S.; Krause, P.; Tabaka, W.; Witt, M. U.; Mukherji, D.; Kremer, K.; von Klitzing, R.: Poly(N-isopropylacrylamide) Microgels under Alcoholic Intoxication: When a LCST Polymer Shows Swelling with Increasing Temperature. ACS Macro Letters 6 (10), S. 1042 - 1046 (2017)

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, S. 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), S. 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), S. 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), S. 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), S. 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, S. 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), S. 18389 - 18393 (2017)