SIMPLE AND EFFICIENT ALGORITHM FOR LARGE SCALE MOLECULAR DYNAMICS SIMULATION IN HARD DISK SYSTEM

Masaharu Isobe
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Masaharu Isobe: Department of Physics, Kyushu University 33, Fukuoka 812-8581, Japan

International Journal of Modern Physics C (IJMPC), 1999, vol. 10, issue 07, 1281-1293

Abstract: A simple and efficient algorithm of the molecular-dynamics simulation of the hard disk system based on the Event-Driven method is developed. From the analysis of algorithm, the complexity is${\mathcal O} (\log N)$per 1 event, and the constant coefficient of the complexity is smaller than conventional efficient algorithm based on the concept of Cell-Crossing Event. The maximum performance of more than 460 millions of collisions per CPU-hour on the Alpha600 compatible in a 2500 particle system is achieved. An extension to the infinite-space system based on this algorithm is also proposed.

Keywords: Event-driven molecular dynamics; Hard disk system; Algorithm (search for similar items in EconPapers)
Date: 1999
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DOI: 10.1142/S0129183199001042

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