Difference between revisions of "ESPResSo"
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'''{{ES}}''' 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. | '''{{ES}}''' 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. | ||
| − | {{ES}} is capable of doing classical | + | {{ES}} is capable of doing classical [[w:Molecular dynamics]] simulations of many types of systems in different [[w:statistical ensemble]]s (NVE, NVT, NPT). It contains many advanced simulation algorithms (Lattice-Boltzmann). |
| − | {{ES}} is controlled via | + | {{ES}} is controlled via [[w:Tcl]] scripts, which gives it a great flexibility. |
Besides doing the regular [[Research|research on different physical systems]], the working group is constantly trying to improve and extend the {{ES}} software. | Besides doing the regular [[Research|research on different physical systems]], the working group is constantly trying to improve and extend the {{ES}} software. | ||
Revision as of 11:30, 30 April 2008
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.
Besides doing the regular research on different physical systems, the working group is constantly trying to improve and extend the ESPResSo software.
Coworkers
- Christian Holm: Project coordination
- Olaf Lenz: Core development
- the whole SimBio group: different contributions
Collaborators
- 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
Publications
-
Hans Jörg Limbach and Axel Arnold and B. A. Mann and Christian Holm.
"ESPResSo – An Extensible Simulation Package for Research on Soft Matter Systems".
Computer Physics Communications 174(9)(704–727), 2006.
[PDF] (318 KB) [DOI] -
Axel Arnold and Bernward A. Mann and Christian Holm.
"Simulating Charged Systems with ESPResSo".
In Computer Simulations in Condensed Matter: from Materials to Chemical Biology, volume of Lecture Notes in Physics, pages 193–222. Editors: M. Ferrario and G. Ciccotti and K. Binder,
Springer, Berlin, Germany, 2006.
[PDF] (2 MB) [DOI] -
Axel Arnold and Bernward A. Mann and Hans Jörg Limbach and Christian Holm.
"ESPResSo – An Extensible Simulation Package for Research on Soft Matter Systems".
In Forschung und wissenschaftliches Rechnen 2003.
Gesellschaft für wissenschaftliche Datenverarbeitung mbH.
[PDF] (393 KB) -
A. W. Arnold and B. A. Mann and H. J. Limbach and C. Holm.
"ESPResSo – An Extensible Simulation Package for Research on Soft Matter Systems".
2003.
entry for the \sc Heinz-Billing-Competition for the Advancement of Scientific Computation
Links
- http://www.espresso.mpg.de/ - Official ESPResSo web site
