Molecular dynamics studies of liquids using a Beowulf computer
作者： Probert Mij
DOI: 10.1080/00107510310001607233
关键词:
摘要: Molecular dynamics is a popular methodology for investigating the properties of liquids. In this article, historical development subject and its current status will be briefly reviewed. The different parallelisation strategies that are commonly used discussed, highlighting their relative strengths weaknesses. Particular attention given to software hardware aspects implementing these algorithms on ‘Beowulf class’ parallel computers. Finally, three examples molecular studies Beowulf computer indicative range potential applications.
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