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Event-driven molecular dynamics in parallel
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DOI：10.1016/j.jcp.2003.08.009.png)
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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. (C) 2003 Elsevier B.V. All rights reserved.
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IF:
3.8
论文数:
1.6W
被引数:
7.4W
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