Publications of Kurt Kremer

Smrek, J.; Kremer, K.: Small Activity Differences Drive Phase Separation in Active-Passive Polymer Mixtures. Physical Review Letters 118 (9), 098002 (2017)

Spiegel, S.; Kremer, K.; Zifferer, G.; Olaj, O. F.: 25 Years of Macromolecular Theory and Simulations. Macromolecular Theory and Simulations 26 (1), 1600096 (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)

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)

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)

Fogarty, A. C.; Potestio, R.; Kremer, K.: A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site. Proteins: Structure, Function, and Bioinformatics 84 (12), pp. 1902 - 1913 (2016)

Greco, C.; Jiang, Y.; Chen, J. Z. Y.; Kremer, K.; Daoulas, K. C.: Maier-Saupe model of polymer nematics: Comparing free energies calculated with Self Consistent Field theory and Monte Carlo simulations. The Journal of Chemical Physics 145 (18), 184901 (2016)

Hsu, H.-P.; Kremer, K.: Static and dynamic properties of large polymer melts in equilibrium. The Journal of Chemical Physics 144 (15), 154907 (2016)

Kreis, K.; Potestio, R.; Kremer, K.; Fogarty, A. C.: Adaptive Resolution Simulations with Self-Adjusting High-Resolution Regions. Journal of Chemical Theory and Computation 12 (8), pp. 4067 - 4081 (2016)

Kreis, K.; Tuckerman, M. E.; Donadio, D.; Kremer, K.; Potestio, R.: From Classical to Quantum and Back: A Hamiltonian Scheme for Adaptive Multiresolution Classical/Path-Integral Simulations. Journal of Chemical Theory and Computation 12 (7), pp. 3030 - 3039 (2016)

Mukherji, D.; Wagner, M.; Watson, M. D.; Winzen, S.; de Oliveira, T. E.; Marques, C. M.; Kremer, K.: Relating side chain organization of PNIPAm with its conformation in aqueous methanol. Soft Matter 12 (38), pp. 7995 - 8003 (2016)

Netz, P. A.; Potestio, R.; Kremer, K.: Adaptive resolution simulation of oligonucleotides. The Journal of Chemical Physics 145 (23), 234101 (2016)

Rudzinski, J. F.; Kremer, K.; Bereau, T.: Communication: Consistent interpretation of molecular simulation kinetics using Markov state models biased with external information. The Journal of Chemical Physics 144 (5), 051102 (2016)

Xiao, S.; Peter, C.; Kremer, K.: Systematic comparison of model polymer nanocomposite mechanics. Bioinspiration & Biomimetics 11 (5), 055008 (2016)

Bereau, T.; Kremer, K.: Automated Parametrization of the Coarse-Grained Martini Force Field for Small Organic Molecules. Journal of Chemical Theory and Computation 11 (6), pp. 2783 - 2791 (2015)

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

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)