Molecular Simulation of Fluids with Short Range Potentials

Martin Bernreuther () and Jadran Vrabec ()
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Martin Bernreuther: University of Stuttgart, Institute of Parallel and Distributed Systems, Simulation of Large Systems Department
Jadran Vrabec: University of Stuttgart, Institute of Thermodynamics and Thermal Process Engineering

A chapter in High Performance Computing on Vector Systems, 2006, pp 187-195 from Springer

Abstract: Abstract 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.

Keywords: Molecular Dynamic Simulation; Processing Element; Molecular Simulation; Target Platform; Short Range Potential (search for similar items in EconPapers)
Date: 2006
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-540-35074-3_13

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DOI: 10.1007/3-540-35074-8_13

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