most citedAutomatically growing global reactive neural network potential energy surfaces: a trajectory free active learning strategy

57 citations · 62 across the 2 of their papers we have counts for

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physics.chem-ph2021★ 5 cited

Determining Reaction Pathways at Low Temperatures by Isotopic Substitution: The Case of BeD+ + H2O

Tiangang Yang, Bin Zhao, Gary K. Chen +3

Trapped Be+ ions are a leading platform for quantum information science [1], but reactions with background gas species, such as H2 and H2O, result in qubit loss. Our experiment rev…

physics.chem-ph2020★ 57 cited

Automatically growing global reactive neural network potential energy surfaces: a trajectory free active learning strategy

Qidong Lin, Yaolong Zhang, Bin Zhao +1

An efficient and trajectory-free active learning method is proposed to automatically sample data points for constructing globally accurate reactive potential energy surfaces (PESs)…