ESPResSo

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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

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