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, ferrofluids and biological systems, for example DNA and lipid membranes.
ESPResSo is free, open-source software published under the GNU General Public License (GPL). It is parallelized and can be employed on desktop machines, convenience clusters as well as on supercomputers with hundreds of CPUs. The parallel code is controlled via the scripting language Tcl, 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.
The ESPResSo team is proud to announce that we have just released version 3.3.0 of ESPResSo ! Highlights of this release include Calculation of the electrokinetic equations via the ELECTROKINETICS feature, The Shan/Chen method for multi component lattice Boltzmann fluids, the P3M and MMM1D methods can now be computed on a GPU, ESPResSo now has …View full post