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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Invitation to the ESPResSo Summer School 2022

Simulating the dynamics of soft matter with ESPResSo, PyStencils and LbmPy Date: October 10, 2022 – October 14, 2022 Location: hybrid format: onsite course at the ICP, University of Stuttgart (Germany) with live streaming on Zoom for online participants Register:https://www.cecam.org/workshop-detail/1146 Schedule: PDF, iCal Notes from the Organizers This school is currently planned as an onsite …

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ESPResSo 4.2.0 released

This is a feature release, i.e., new functionality is added to ESPResSo. New thermostats, cell systems and boundary conditions have been introduced to simulate systems with Stokesian Dynamics, Brownian Dynamics, strongly inhomogeneous particle sizes or translation-invariant shear flow. The interface underwent (non-silent) changes, therefore scripts will have to be slightly adapted. Most notably, particle access …

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Invitation to the ESPResSo Summer School 2021

Combining particle-based and continuum modelling in soft matter physics with ESPResSo, PyStencils, and LbmPy Date: Oct 11-15, 2021 Location: online course (hybrid format) Register:https://www.cecam.org/workshop-details/1070 Schedule: PDF, iCalendar Confirmed speakers Friederike Schmid (University of Mainz) Jens Harting (University of Erlangen–Nuremberg) Markus Holzer (University of Erlangen–Nuremberg) Marjolein Dijkstra (Utrecht University) Ivan Cimrák (University of Žilina) Peter Košovan (Charles …

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ESPResSo 4.1.4 released

This release provides a number of corrections for the ESPResSo 4.1 line. We recommend that this release be used for all production simulations. The interface has not been changed between ESPResSo 4.1.3 and 4.1.4. However, some bugs were discovered which can affect simulation results. Please find the list of changes below. The numbers in brackets …

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