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 4.1.1 released

This release provides a number of corrections for Espresso 4.1. We recommend that this release be used for all production simulations. The interface is mostly unchanged between Espresso 4.1 and 4.1.1; the two exceptions are limited to these experimental features: Integrator.set_isotropic_npt(): input value direction=[0,0,0] now throws an error instead of being silently changed to [1,1,1] …

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ESPResSo 4.1 released

This is a feature release, i.e., new functionality is added to Espresso. An additional focus of this release is quality assurance and modernization. The testing of Espresso’s functionality has been extended considerably. Also, sample and tutorial scripts are now automatically tested. Moreover, a large effort was put into modernizing the C++ simulation core. Work has …

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ESPResSo 4.0.2 released

This release provides a number of corrections for the Espresso 4.0 line. We recommend that this release be used for all production simulations. Please note that a sign error in tabulated interactions was fixed. Simulation scripts which worked around this problem might have to be changed. Below, please find the list of changes. The numbers …

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Invitation to the ESPResSo Summer School 2019

Active, Charged, and Magnetic Soft Matter Simulations with ESPResSo Date: Oct 7-11, 2019 Location: ICP, University of Stuttgart, Germany Register:https://www.cecam.org/workshop1754/ Program (PDF) Learn to simulate soft matter systems using ESPResSo and Python: In this school, you have the opportunity to learn to conduct simulations in the fields of statistical physics as well as soft and …

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