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20242026
most citedRBMD: A molecular dynamics package enabling to simulate 10 million all-atom particles in a single graphics processing unit

3 citations · 5 across the 3 of their papers we have counts for

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physics.comp-ph2025★ 2 cited

Fine-Tuning Universal Machine-Learned Interatomic Potentials: A Tutorial on Methods and Applications

Xiaoqing Liu, Kehan Zeng, Zedong Luo +3

Universal machine-learned interatomic potentials (U-MLIPs) have demonstrated broad applicability across diverse atomistic systems but often require fine-tuning to achieve task-spec…

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…