ESPResSo
From SNIC Documentation
ESPResSo is a highly versatile software package for the scientific simulation and analysis of coarse-grained atomistic or bead-spring models as they are used in soft matter research, with emphasis on charged systems.
Contents |
Availability
| Resource | Centre | Description |
|---|---|---|
| Akka | HPC2N | capability cluster resource of 54 TFLOPS with infiniband interconnect |
| Lindgren | PDC | Cray XE6 capability cluster with 305 TFLOPS peak performance |
License
License: Free.
The ESPResSo code is distributed under GPL.
Experts
No experts have currently registered expertise on this specific subject. List of registered field experts:| Field | AE FTE | General activities | ||
|---|---|---|---|---|
| Erik Fransson (C3SE) | C3SE | Computational materials science | 100100 | Various modification and analysis tool development |
| Johan Raber (NSC) | NSC | Computational chemistry | 5050 | |
| Michael Stenrup (UPPMAX) | UPPMAX | Computational chemistry | 2525 | |
| Pavlin Mitev (UPPMAX) | UPPMAX | Computational materials science | 4545 | |
| Torben Rasmussen (NSC) | NSC | Computational chemistry | 100100 | Application expert coordinator (25% FTE). Installation and support of computational chemistry software. Snicdocs editing and development. |
| Weine Olovsson (NSC) | NSC | Computational materials science | 9090 | Application support, installation and help |
