Tarenzi, T.; Calandrini, V.; Potestio, R.; Giorgetti, A.; Carloni, P.: Open Boundary Simulations of Proteins and Their Hydration Shells by Hamiltonian Adaptive Resolution Scheme. Journal of Chemical Theory and Computation 13 (11), pp. 5647 - 5657 (2017)

Tretyakov, N.; Dünweg, B.: An improved dissipative coupling scheme for a system of Molecular Dynamics particles interacting with a Lattice Boltzmann fluid. Computer Physics Communications 216, pp. 102 - 108 (2017)

Urzagasti, D.; Laroze, D.; Pleiner, H.: Two-dimensional localized chaotic patterns in parametrically driven systems. Physical Review E 95 (5), 052216 (2017)

Wehner, J.; Baumeier, B.: Intermolecular Singlet and Triplet Exciton Transfer Integrals from Many-Body Green's Functions Theory. Journal of Chemical Theory and Computation 13 (4), pp. 1584 - 1594 (2017)

Xiong, S.; Selli, D.; Neogi, S.; Donadio, D.: Native surface oxide turns alloyed silicon membranes into nanophononic metamaterials with ultralow thermal conductivity. Physical Review B 95, 180301 (2017)

Zhang, J.; Milzetti, J.; Leroy, F.; Müller-Plathe, F.: Formation of coffee-stain patterns at the nanoscale: The role of nanoparticle solubility and solvent evaporation rate. The Journal of Chemical Physics 146 (11), 114503 (2017)

Zidek, J.; Milchev, A.; Jancar, J.; Vilgis, T. A.: Dynamic Mechanical Response of Hybrid Physical Covalent Networks - Molecular Dynamics Simulation. Macromolecular Symposia 373 (1), 1600147 (2017)

Bereau, T.; Andrienko, D.; Kremer, K.: Research Update: Computational materials discovery in soft matter. APL Materials 4 (5), 053101 (2016)

Bereau, T.; Kremer, K.: Protein-Backbone Thermodynamics across the Membrane Interface. The Journal of Physical Chemistry B 120 (26), pp. 6391 - 6400 (2016)

Binder, K.; Hsu, H.-P.; Paul, W.: Understanding the stiffness of macromolecules: From linear chains to bottle-brushes. European Physical Journal - Special Topics 225 (8-9), pp. 1663 - 1671 (2016)

Boereboom, J. M.; Potestio, R.; Donadio, D.; Bulo, R. E.: Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body Potentials. Journal of Chemical Theory and Computation 12 (8), pp. 3441 - 3448 (2016)

Brand, H. R.; Pleiner, H.; Svensek, D.: Macroscopic behavior of polar nematic gels and elastomers. European Physical Journal E 39 (11), 105 (2016)

Chatterjee, D.; Vilgis, T. A.: Scaling Laws of Bottle-Brush Polymers in Dilute Solutions. Macromolecular Theory and Simulations 25 (6), pp. 518 - 523 (2016)

Clisby, N.; Dünweg, B.: High-precision estimate of the hydrodynamic radius for self-avoiding walks. Physical Review E 94 (5), 052102 (2016)

Cortes Huerto, R.; Kremer, K.; Potestio, R.: Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulations. The Journal of Chemical Physics 145 (14), 141103 (2016)

D'Avino, G.; Muccioli, L.; Castet, F.; Poelking, C.; Andrienko, D.; Soos, Z. G.; Cornil, J.; Beljonne, D.: Electrostatic phenomena in organic semiconductors: fundamentals and implications for photovoltaics. Journal of Physics: Condensed Matter 28 (43), 433002 (2016)

de Oliveira, T. E.; Netz, P. A.; Kremer, K.; Junghans, C.; Mukherji, D.: C-IBI: Targeting cumulative coordination within an iterative protocol to derive coarse-grained models of (multi-component) complex fluids. The Journal of Chemical Physics 144 (17), 174106 (2016)

Delle Site, L.; Deserno, M.; Dünweg, B.; Holm, C.; Peter, C.; Pleiner, H.: Modern simulation approaches in soft matter science: From fundamental understanding to industrial applications. European Physical Journal - Special Topics 225 (8-9), pp. 1317 - 1321 (2016)

Duboue-Dijon, E.; Fogarty, A. C.; Hynes, J. T.; Laage, D.: Dynamical Disorder in the DNA Hydration Shell. Journal of the American Chemical Society 138 (24), pp. 7610 - 7620 (2016)

El Hage, K.; Bereau, T.; Jakobsen, S.; Meuwly, M.: Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations. Journal of Chemical Theory and Computation 12 (7), pp. 3008 - 3019 (2016)