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Molecular simulation of fluids with short range potentials

contributor IPVS, Simulation großer Systeme
Martin.Bernreuther
creator Bernreuther, Martin
Vrabec, Jadran
date 2005
description Molecular modeling and simulation of thermophysical properties using short-range potentials covers a large variety of real simple fluids and mixtures. To study nucleation phenomena within a research project, a molecular dynamics simulation package is developed. The target platform for this software are Clusters of Workstations (CoW), like the Linux cluster "Mozart" with 64 dual nodes, which is available at the Institute of Parallel and Distributed Systems, or the HLRS cluster "cacau", which is part of the Teraflop Workbench. The used algorithms and data structures are discussed as well as first simulation results.
identifier  http://www.informatik.uni-stuttgart.de/cgi-bin/NCSTRL/NCSTRL_view.pl?id=INPROC-2005-108&engl=1
ISBN: 3-540-29124-5
language eng
publisher Stuttgart: Springer
relation HLRS
source In: Resch, Michael (ed.); Bönisch, Thomas (ed.); Benkert, Katharina (ed.); Furui, Toshiyuki (ed.); Seo, Yoshiki (ed.); Bez, Wolfgang (ed.): High Performance Computing on Vector Systems: Proceedings of the Second Teraflop Workshop; Stuttgart, March 17-18, 2005, pp. 187-195
subject Physical Sciences and Engineering (CR J.2)
Types of Simulation (CR I.6.8)
Mathematical Software (CR G.4)
Numerical Analysis General (CR G.1.0)
Concurrent Programming (CR D.1.3)
Molecular Dynamics
parallel algorithms
nanofluids
nucleation
title Molecular simulation of fluids with short range potentials
type Text
Article in Proceedings