Difference between revisions of "ESPResSo"
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[[Image:Espresso-cup.jpg|thumbnail|right|The logo of {{ES}} has been produced using {{ES}} itself.]] | [[Image:Espresso-cup.jpg|thumbnail|right|The logo of {{ES}} has been produced using {{ES}} itself.]] | ||
| − | '''{{ES}}''' is a software package for simulations of soft-matter systems | + | '''{{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 {{wp|Molecular dynamics}} simulations of many types of systems in different {{wp|statistical ensemble}}s (NVE, NVT, NPT). It contains many advanced simulation algorithms (Lattice-Boltzmann). | ||
| + | {{ES}} is controlled via {{wp|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. | ||
== Coworkers == | == Coworkers == | ||
Revision as of 15:36, 26 June 2007
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 Template:Wp simulations of many types of systems in different Template:Wps (NVE, NVT, NPT). It contains many advanced simulation algorithms (Lattice-Boltzmann). ESPResSo is controlled via Template:Wp 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 developement
- Kai Grass: Developement
Collaborations
- 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.
Publications
-
H. J. Limbach, A. Arnold, B. A. Mann, C. 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, Bernward A. Mann, Christian Holm.
Simulating Charged Systems with ESPResSo.
In Computer Simulations in Condensed Matter: from Materials to Chemical Biology, pages 193–222. Edited by Mauro Ferrario, Giovanni Ciccotti, Kurt Binder. Part of Lecture Notes in Physics, volume 703.
Springer, Berlin, Germany, 2006. ISBN: 3-540-35273-2.
[PDF] (1.3 MB) [DOI] -
Axel Arnold, Bernward A. Mann, Hans Jörg Limbach, Christian Holm.
ESPResSo – An Extensible Simulation Package for Research on Soft Matter Systems.
In Forschung und wissenschaftliches Rechnen 2003.
Gesellschaft für wissenschaftliche Datenverarbeitung mbH, unknown year.
[PDF] (393 KB) [URL] -
A. W. Arnold, B. A. Mann, H. J. Limbach, 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