Fast parallel algorithms for short-range molecular dynamics

Volume: 117, Issue: 1, Pages: 1 - 19
Published: Mar 1, 1995
Abstract
null null Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly....
Paper Details
Title
Fast parallel algorithms for short-range molecular dynamics
Published Date
Mar 1, 1995
Volume
117
Issue
1
Pages
1 - 19
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