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.
There was a CECAM tutorial on simulating soft matter with ESPResSo on October 11-15, 2010, here at the ICP. For more details, see the CECAM webpage. The next ESPResSo tutorial will be held October 10-14, 2011, again here at the ICP.
- 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, where it is hosted and where it is also developed.
- Hanjo Limbach (original developer) at Nestlé research, Lausanne, Switzerland