2.3k citations · 9.5k across the 43 of their papers we have counts for
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physics.comp-ph2017★ 2.2k cited
DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
Han Wang, Linfeng Zhang, Jiequn Han +1
Recent developments in many-body potential energy representation via deep learning have brought new hopes to addressing the accuracy-versus-efficiency dilemma in molecular simulati…
physics.chem-ph2017★ 121 cited
Reinforced dynamics for enhanced sampling in large atomic and molecular systems
Linfeng Zhang, Han Wang, Weinan E
A new approach for efficiently exploring the configuration space and computing the free energy of large atomic and molecular systems is proposed, motivated by an analogy with reinf…
physics.comp-ph2017★ 2.3k cited
Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics
Linfeng Zhang, Jiequn Han, Han Wang +2
We introduce a scheme for molecular simulations, the Deep Potential Molecular Dynamics (DeePMD) method, based on a many-body potential and interatomic forces generated by a careful…