What is ESPResSo++?
ESPResSo++ is a software package for the scientific simulation and analysis of coarse-grained atomistic or bead-spring models as they are used in soft matter research.
ESPResSo++ has a modern C++ core and flexible Python user interface.
ESPResSo and ESPResSo++ have common roots however their development is independent and they are different software packages.
ESPResSo++ is free, open-source software published under the GNU General Public License (GPL).
Using ESPResSo++ in your research
Please cite these publications if you use ESPResSo++:
H. V. Guzman, N. Tretyakov, H. Kobayashi, A. C. Fogarty, K. Kreis, J. Krajniak, C. Junghans, K. Kremer, T. Stuehn, "ESPResSo++ 2.0: Advanced methods for multiscale molecular simulations", Computer Physics Communications, 238 (2019), pp. 66-76. DOI: 10.1016/j.cpc.2018.12.017
J. D. Halverson, T. Brandes, O. Lenz, A. Arnold, S. Bevc, V. Starchenko, K. Kremer, T. Stuehn, D. Reith, "ESPResSo++: A Modern Multiscale Simulation Package for Soft Matter Systems", Computer Physics Communications, 184 (2013), pp. 1129-1149. DOI: 10.1016/j.cpc.2012.12.004
Recent publications
where ESPResSo++ was used
J. Chem. Theory Comput. Adaptive resolution simulations with self-adjusting high-resolution regions by Karsten Kreis, Raffaello Potestio, Kurt Kremer, and Aoife C. Fogarty
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Nature Communications Polymer collapse in miscible good solvents is a generic phenomenon driven by preferential adsorption by Debashish Mukherji, Carlos M. Marques and Kurt Kremer
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ACS Macro Letters Equilibration of high molecular weight polymer melts: A hierarchical strategy by Guojie Zhang, Livia A. Moreira, Torsten Stuehn, Kostas Ch. Daoulas and Kurt Kremer
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