Coarse-grained models ESPResSo is a highly versatile software package for performing and analyzing scientific Molecular Dynamics many-particle simulations of “coarse-grained” bead-spring models as they are used in soft matter research in physics, chemistry and molecular biology. It can be used to simulate systems such as polymers, liquid crystals, colloids, ferrofluids and biological systems, for example …
ESPResSo can perform simulations of various physical systems in different ensembles. It is optimized for coarse-grained models and has the following characteristics: ESPResSo is alive! It is actively maintained and refined by members of the Institute for Computational Physics, Stuttgart and contributors from all around the globe. ESPResSo is controlled by python scripts, which gives it great flexibility. ESPResSo …
ESPResSo is mainly developed and maintained by the staff of the Institute for Computational Physics (ICP) at the University of Stuttgart, Germany. Also see the contributors page on GitHub. Christian Holm, Project leader R. Weeber, Maintainer, Core developer J.N. Grad, Maintainer, Core developer, Website A. Reinauer, Maintainer, Core developer I. Tischler, Developer, Website P. Kreissl, Developer C. …
The main publications of ESPResSo 4.0 is the following: F. Weik, R. Weeber, K. Szuttor, K Breitsprecher, J. de Graaf, M. Kuron, J. Landsgesell, H. Menke, D. Sean and C. Holm. “ESPResSo 4.0 – an extensible software package for simulating soft matter systems”. The European Physical Journal Special Topics 227(14), (1789–1816), 2019. (DOI) If you use …
Cover Issues ESPResSo -related publications that made it on a cover: Title: The pH-dependent swelling of weak polyelectrolyte hydrogels modeled at different levels of resolution Authors: Jonas Landsgesell, David Beyer, Pascal Hebbeker, Peter Košovan, Christian Holm Source: Macromolecules DOI:10.1021/acs.macromol.1c02489 Published: 2022 Title: A self-consistent mean-field model for polyelectrolyte gels Authors: Oleg Rud, Tobias Richter, Oleg …
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