170 citations · 395 across the 13 of their papers we have counts for
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physics.comp-ph2022★ 170 cited
Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations
Xiang Fu, Zhenghao Wu, Wujie Wang +4
Molecular dynamics (MD) simulation techniques are widely used for various natural science applications. Increasingly, machine learning (ML) force field (FF) models begin to replace…
cs.LG2022★ 14 cited
Simulate Time-integrated Coarse-grained Molecular Dynamics with Multi-Scale Graph Networks
Xiang Fu, Tian Xie, Nathan J. Rebello +2
Molecular dynamics (MD) simulation is essential for various scientific domains but computationally expensive. Learning-based force fields have made significant progress in accelera…