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 this publication if you use ESPResSo++:

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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