Event-driven molecular dynamics in parallel

Stefan Miller*, S. Luding

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

66 Citations (Scopus)

Abstract

Although event-driven algorithms have been shown to be far more efficient than time-driven methods such as conventional molecular dynamics, they have not become as popular. The main obstacle seems to be the difficulty of parallelizing event-driven molecular dynamics. Several basic ideas have been discussed in recent years, but to our knowledge no complete implementation has been published yet. In this paper we present a parallel event-driven algorithm including dynamic load-balancing, which can be easily implemented on any computer architecture. To simplify matters our explanations refer to a basic multi-particle system of hard spheres, but can be extended easily to a wide variety of possible models.

Original languageEnglish
Pages (from-to)306-316
Number of pages11
JournalJournal of computational physics
Volume193
Issue number1
Early online date23 Sep 2003
DOIs
Publication statusPublished - 1 Jan 2004
Externally publishedYes

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