Nature Cover Issue from 2007. The data in this article was produced with ESPResSo.

ESPResSo is a highly versatile software package for performing and analyzing scientific Molecular Dynamics many-particle simulations of coarse-grained atomistic or 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, polyelectrolytes, ferrofluids and biological systems, for example DNA and lipid membranes. It also has a DPD and lattice Boltzmann solver for hydrodynamic interactions, and allows several particle couplings to the LB fluid.

ESPResSo is free, open-source software published under the GNU General Public License (GPL3). It is parallelized and can be employed on desktop machines, convenience clusters as well as on supercomputers with hundreds of CPUs, and some modules have also support for GPU acceleration. The parallel code is controlled via the scripting language Python, which gives the software its great flexibility.

ESPResSo is used in scientific working groups all over the world both as a production platform as well as a research platform for developing new algorithms and methods for coarse-grained simulations.  It is mainly developed at the Institute for Computational Physics of the University of Stuttgart, but has contributors from all over the world.

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ESPResSo 4.0.1 released

This release provides a number of corrections for Espresso 4.0. We recommend that this release be used for all production simulations. The interface has not been changed between Espresso 4.0 and 4.0.1 However, some bugs were discovered which can affect simulation results. Below, please find the list of changes. The numbers in brackets refer to …

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ESPResSo 4.0 released

The ESPResSo team is proud to announce that we have just released version 4.0! Download ESPResSo 4.0 ESPResSo 4.0 is the first release of ESPResSo with a Python interface. I.e., the language in which simulation scripts are written is now Python, and support for the TCL-interface has been dropped. We recommend all users switch to ESPResSo …

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Invitation to the ESPResSo Summer School 2018

Our cecam school Particle-based Simulations for Hard and Soft Matter will take place on October 8-12, 2018 at the Institute for Computational Physics, University of Stuttgart. The school focuses on the introduction of particle based coarse-grained Molecular Dynamics simulation techniques for Hard and Soft Matter systems with the freely available software packages ESPResSo and IMD.  It is intended to introduce …

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ESPResSo Summer School 2017 Slides

Here are the slides of the ESPResSo summer school 2017: Monday: Introduction to Soft Matter Simulations by Chistian Holm Tuesday: The Lattice Electrokinetics Algorithm by Michael Kuron Wednesday: Introduction to Lattice Boltzmann Methods by Ulf Schiller Thursday: Active Matter: Simulating Self-Propelled Colloids by Joost de Graaf Equilibrating high Molecular-Weight Polymer Melts using Hereachical Strategies by …

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