Publikationen von Kurt Kremer

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.; 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), S. 1047 - 1053 (2015)

Koschke, K.; Limbach, H. J.; Kremer, K.; Donadio, D.: Freezing point depression in model Lennard-Jones solutions. Molecular Physics 113 (17-18), S. 2725 - 2734 (2015)

Kreis, K.; Fogarty, A. C.; Kremer, K.; Potestio, R.: Reply to comments by R. Klein on Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations. European Physical Journal 224 (12), S. 2505 - 2506 (2015)

Kreis, K.; Fogarty, A. C.; Kremer, K.; Potestio, R.: Advantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulations. European Physical Journal 224 (12), S. 2289 - 2304 (2015)

Moreira, L. A.; Zhang, G.; Müller, F.; Stuehn, T.; Kremer, K.: Direct Equilibration and Characterization of Polymer Melts for Computer Simulations. Macromolecular Theory and Simulations 24 (5 ), S. 419 - 431 (2015)

Mukherji, D.; Marques, C. M.; Stuehn, T.; Kremer, K.: Co-non-solvency: Mean-field polymer theory does not describe polymer collapse transition in a mixture of two competing good solvents. The Journal of Chemical Physics 142 (11), 114903 (2015)

Zhang, G.; Stuehn, T.; Daoulas, K. C.; Kremer, K.: Communication: One size fits all: Equilibrating chemically different polymer liquids through universal long-wavelength description. The Journal of Chemical Physics 142 (22), 221102 (2015)

Butt, H.-J.; Duran, H.; Egger, W.; Faupel, F.; Harmandaris, V.; Harms, S.; Johnston, K.; Kremer, K.; Lin, F.-Y.; Lue, L. et al.; Ohrt, C.; Raetzke, K.; Ravelli, L.; Steffen, W.; Vianna, S. D. B.: Interphase of a Polymer at a Solid Interface. Macromolecules 47 (23), S. 8459 - 8465 (2014)

Fritsch, S.; Potestio, R.; Donadio, D.; Kremer, K.: Nuclear Quantum Effects in Water: A Multiscale Study. Journal of Chemical Theory and Computation 10 (2), S. 816 - 824 (2014)

Halverson, J. D.; Smrek, J.; Kremer, K.; Grosberg, A. Y.: From a melt of rings to chromosome territories: the role of topological constraints in genome folding. Reports on Progress in Physics 77 (2), 022601 (2014)

Kreis, K.; Donadio, D.; Kremer, K.; Potestio, R.: A unified framework for force-based and energy-based adaptive resolution simulations. EPL 108 (3), 30007 (2014)

Mukherji, D.; Marques, C. M.; Kremer, K.: Polymer collapse in miscible good solvents is a generic phenomenon driven by preferential adsorption. Nature Communications 5, 4882 (2014)

Potestio, R.; Peter, C.; Kremer, K.: Computer Simulations of Soft Matter: Linking the Scales. Entropy 16 (8), S. 4199 - 4245 (2014)

Zhang, G.; Moreira, L. A.; Stuehn, T.; Daoulas, K. C.; Kremer, K.: Equilibration of High Molecular Weight Polymer Melts: A Hierarchical Strategy. ACS Macro Letters 3 (2), S. 198 - 203 (2014)

Bevc, S.; Junghans, C.; Kremer, K.; Praprotnik, M.: Adaptive resolution simulation of salt solutions. New Journal of Physics 15, 105007 (2013)

Gemünden, P.; Poelking, C.; Kremer, K.; Andrienko, D.; Daoulas, K. C.: Nematic Ordering, Conjugation, and Density of States of Soluble Polymeric Semiconductors. Macromolecules 46 (14), S. 5762 - 5774 (2013)

Halverson, J. D.; Brandes, T.; Lenz, O.; Arnold, A.; Bevc, S.; Starchenko, V.; Kremer, K.; Stuehn, T.; Reith, D.: ESPResSo++: A modern multiscale simulation package for soft matter systems. Computer Physics Communications 184 (4), S. 1129 - 1149 (2013)

Halverson, J. D.; Kremer, K.; Grosberg, A. Y.: Comparing the results of lattice and off-lattice simulations for the melt of nonconcatenated rings. Journal of Physics A: Mathematical and Theoretical 46 (6), 065002 (2013)

Halverson, J. D.; Lee, W. B.; Grest, G. S.; Grosberg, A. Y.; Kremer, K.: Response to "Comment on 'Molecular dynamics simulation study of nonconcatenated ring polymers in a melt. I. Statics"' [J. Chem. Phys. 139, 217101 (2013)]. The Journal of Chemical Physics 139 (21), 217102 (2013)