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 w:Molecular dynamics simulations of many types of systems in different w:statistical ensembles (NVE, NVT, NPT). It contains many advanced simulation algorithms (Lattice-Boltzmann). ESPResSo is controlled via w:Tcl scripts, which gives it a great flexibility.
- Christian Holm: Project coordination
- Olaf Lenz: Core development
- the whole SimBio group: 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
- Axel Arnold (original developer) at AMOLF, Amsterdam