Publikationen von Kurt Kremer

Claudio, G. C.; Kremer, K.; Holm, C.: Comparison of a hydrogel model to the Poisson-Boltzmann cell model. Journal of Chemical Physics 131 (9), 094903 (2009)

Delgado-Buscalioni, R.; Kremer, K.; Praprotnik, M.: Coupling atomistic and continuum hydrodynamics through a mesoscopic model: Application to liquid water. Journal of Chemical Physics 131 (24), 244107 (2009)

Feng, X. L.; Marcon, V.; Pisula, W.; Hansen, M. R.; Kirkpatrick, J.; Grozema, F.; Andrienko, D.; Kremer, K.; Müllen, K.: Towards high charge-carrier mobilities by rational design of the shape and periphery of discotics. Nature Materials 8 (5), S. 421 - 426 (2009)

Fritz, D.; Harmandaris, V. A.; Kremer, K.; van der Vegt, N. F. A.: Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities. Macromolecules 42 (19), S. 7579 - 7588 (2009)

Fritz, D.; Herbers, C. R.; Kremer, K.; van der Vegt, N. F. A.: Hierarchical modeling of polymer permeation. Soft Matter 5 (22), S. 4556 - 4563 (2009)

Harmandaris, V. A.; Kremer, K.: Dynamics of Polystyrene Melts through Hierarchical Multiscale Simulations. Macromolecules 42 (3), S. 791 - 802 (2009)

Harmandaris, V. A.; Kremer, K.: Predicting polymer dynamics at multiple length and time scales. Soft Matter 5 (20), S. 3920 - 3926 (2009)

Lee, W. B.; Kremer, K.: Entangled Polymer Melts: Relation between Plateau Modulus and Stress Autocorrelation Function. Macromolecules 42 (16), S. 6270 - 6276 (2009)

Mulder, T.; Harmandaris, V. A.; Lyuin, A. V.; van der Vegt, N. F. A.; Kremer, K.; Michels, M. A. J.: Structural Properties of Atactic Polystyrene of Different Thermal History Obtained from a Multiscale Simulation. Macromolecules 42 (1), S. 384 - 391 (2009)

Peter, C.; Kremer, K.: Multiscale simulation of soft matter systems - from the atomistic to the coarse-grained level and back. Soft Matter 5 (22), S. 4357 - 4366 (2009)

Peter, C.; Kremer, K.: Rechnergestützte Forschung - Polymersimulationen / Multiskalensimulationen in der Materialwissenschaft. Forschungsmagazin der Johannes-Gutenberg-Universität Mainz 2 (25. Jahrgang), S. 14 - 17 (2009)

Rühle, V.; Junghans, C.; Lukyanov, A.; Kremer, K.; Andrienko, D.: Versatile Object-Oriented Toolkit for Coarse-Graining Applications. Journal of Chemical Theory and Computation 5 (12), S. 3211 - 3223 (2009)

Vettorel, T.; Grosberg, A. Y.; Kremer, K.: Statistics of polymer rings in the melt: a numerical simulation study. Physical Biology 6 (2), 025013 (2009)

Vettorel, T.; Reigh, S. Y.; Yoon, D. Y.; Kremer, K.: Monte-Carlo Method for Simulations of Ring Polymers in the Melt. Macromolecular Rapid Communications 30 (4-5), S. 345 - 351 (2009)

Wang, H.; Junghans, C.; Kremer, K.: Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining? European Physical Journal E 28 (2), S. 221 - 229 (2009)

Andrienko, D.; Kirkpatrick, J.; Marcon, V.; Nelson, J.; Kremer, K.: Structure-charge mobility relation for hexabenzocoronene derivatives. Physica Status Solidi B-Basic Solid State Physics 245 (5), S. 830 - 834 (2008)

Delgado-Buscalioni, R.; Kremer, K.; Praprotnik, M.: Concurrent triple-scale simulation of molecular liquids. Journal of Chemical Physics 128 (11), 114110 (2008)

Junghans, C.; Praprotnik, M.; Kremer, K.: Transport properties controlled by a thermostat: An extended dissipative particle dynamics thermostat. Soft Matter 4 (1), S. 156 - 161 (2008)

Kirkpatrick, J.; Marcon, V.; Kremer, K.; Nelson, J.; Andrienko, D.: Charge transport parameters of HBC at different temperatures. Physica Status Solidi B-Basic Solid State Physics 245 (5), S. 835 - 838 (2008)

Kirkpatrick, J.; Marcon, V.; Kremer, K.; Nelson, J.; Andrienko, D.: Columnar mesophases of hexabenzocoronene derivatives. II. Charge carrier mobility. Journal of Chemical Physics 129 (9), 094506 (2008)