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Simple and efficent algorithm for large scale molecular dynamics simulation in hard disk systems

Masaharu Isobe
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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 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 more than 460 millions of collisions per CPU-hour on the Alpha600 compatible in 2500 particle system is achieved. An extension to the infinite-space system based on this algorithm is also proposed.

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BibTeXRIS

Masaharu Isobe. 1999-12-11. Simple and efficent algorithm for large scale molecular dynamics simulation in hard disk systems. https://doi.org/10.1142/s0129183199001042

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