ESPResSo is a software package for simulations of soft-matter systems, which is co-developed and used in the working group for most of its research.
ESPResSo is capable of doing classical Molecular dynamics simulations of many types of systems in different statistical ensembles (NVE, NVT, NPT). It contains many advanced simulation algorithms (Lattice-Boltzmann). ESPResSo is controlled via Tcl scripts, which gives it a great flexibility.
Besides doing the regular research on different physical systems, the working group is constantly trying to improve and extend the ESPResSo software.
For more details on the software, visit the ESPResSo Homepage!
- Christian Holm: Project coordination
- Axel Arnold: Core development
- Olaf Lenz: Core development and code maintenance
- various coworkers: different contributions
- Max-Planck-Institut für Polymerforschung (MPI-P) in Mainz: ESPResSo has been originally developed in Christian Holm's group at the MPI-P.
- Hanjo Limbach (original developer) at Nestlé research, Lausanne, Switzerland
Workshops and Tutorials
- SimTech-CECAM-Tutorial "Simulating Soft Matter with ESPResSo, ESPResSo++ and VOTCA", 8-12 Oct 2012
- SimTech-CECAM-Tutorial "Coarse-grained Simulation of Biological Soft Matter Systems using ESPResSo", 10-14 Oct 2011 at ICP
- CECAM-Tutorial "Simulating Soft Matter with ESPResSo", 11-15 Oct 2010 at ICP
- 1. ESPResSo-Workshop, July 14th, 2006 at the FIAS, Frankfurt