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20232026
most citedRBMD: A molecular dynamics package enabling to simulate 10 million all-atom particles in a single graphics processing unit

3 citations · 4 across the 13 of their papers we have counts for

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Showing 2024 · physics.comp-phShow all

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physics.comp-ph2024

Variance-reduced random batch Langevin dynamics

Zhenli Xu, Yue Zhao, Qi Zhou

The random batch method is advantageous in accelerating force calculations in particle simulations, but it poses a challenge of removing the artificial heating effect in applicatio…

physics.comp-ph2024★ 3 cited

RBMD: A molecular dynamics package enabling to simulate 10 million all-atom particles in a single graphics processing unit

Weihang Gao, Teng Zhao, Yongfa Guo +9

This paper introduces a random-batch molecular dynamics (RBMD) package for fast simulations of particle systems at the nano/micro scale. Different from existing packages, the RBMD…