Parallel molecular dynamics on a torus network

K. Esselink; P.A.J. Hilbers

Parallel molecular dynamics on a torus network

K. Esselink, P.A.J. Hilbers

Algorithms

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Abstract

The parallelization of molecular dynamics enables scientists to study macroscopic properties from large collections of microscopic particles. Accomplishing this requires a very large number of molecules, but because the treatment is of discrete particles, there is inherent parallelism. Particle interactions are shown to be problematic, and the authors develop a parallel algorithm for molecular dynamics that runs on a network of Transputers. This article originally appeared in SIAM News, Vol. 26, No. 3, May 1993. It was updated during the summer/fall of 1995.

Original language	English
Title of host publication	Applications on Advanced Architecture Computers
Editors	G. Astfalk
Place of Publication	Philadelphia
Publisher	Society for Industrial and Applied Mathematics (SIAM)
Pages	177-186
Number of pages	10
Publication status	Published - 1996

Cite this

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title = "Parallel molecular dynamics on a torus network",

abstract = "The parallelization of molecular dynamics enables scientists to study macroscopic properties from large collections of microscopic particles. Accomplishing this requires a very large number of molecules, but because the treatment is of discrete particles, there is inherent parallelism. Particle interactions are shown to be problematic, and the authors develop a parallel algorithm for molecular dynamics that runs on a network of Transputers. This article originally appeared in SIAM News, Vol. 26, No. 3, May 1993. It was updated during the summer/fall of 1995.",

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AB - The parallelization of molecular dynamics enables scientists to study macroscopic properties from large collections of microscopic particles. Accomplishing this requires a very large number of molecules, but because the treatment is of discrete particles, there is inherent parallelism. Particle interactions are shown to be problematic, and the authors develop a parallel algorithm for molecular dynamics that runs on a network of Transputers. This article originally appeared in SIAM News, Vol. 26, No. 3, May 1993. It was updated during the summer/fall of 1995.

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BT - Applications on Advanced Architecture Computers

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PB - Society for Industrial and Applied Mathematics (SIAM)

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ER -

Parallel molecular dynamics on a torus network

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