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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Call for Scientific Software Developer

Call for Scientific Software Developer We are seeking a software developer for the software ESPResSo (espressomd.org). It is mainly used to perform particle MD simulations in the fields of statistical and biological physics and process engineering. Its main strength is to combine a large number of simulation schemes, including hydrodynamic and long-range electrostatic solvers, with coarse-grained particle-based …

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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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Online Documentation

We are switching from the document based User Guide  to a Online Documentation with examples, development instructions and cross references to the python interface code.

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Soft Matter, Issue 18, 2017

The Cover of Soft Matter, Issue 18, 2017 shows a polyelectrolyte gel simulated with ESPResSo . Find details in the article: “A self-consistent mean-field model for polyelectrolyte gels” by Oleg Rud, Tobias Richter, Oleg Borisov, Christian Holm and Peter Košovan

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