Browsing High Performance Computation for Engineered Systems (HPCES) by Author "Cheng, Min"

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Improved O(N) neighbor list method using domain decomposition and data sorting

Yao, Zhenhua; Wang, Jian-Sheng; Cheng, Min (2004-01)

The conventional Verlet table neighbor list algorithm is improved to reduce the number of unnecessary inter-atomic distance calculations in molecular simulations involving large amount of atoms. Both of the serial and ...