4.7 Article

A complexity O(1) priority queue for event driven molecular dynamics simulations

期刊

JOURNAL OF COMPUTATIONAL PHYSICS
卷 221, 期 2, 页码 615-625

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ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcp.2006.06.042

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priority queue; molecular dynamics

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We propose and implement a priority queue suitable for use in event driven molecular dynamics simulations. All operations on the queue take on average O(l) time per collision. In comparison, previously studied queues for event driven molecular dynamics simulations require O(logN) time per collision for systems of N particles. (c) 2006 Elsevier Inc. All rights reserved.

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