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Ang, Shi Jun
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2020
S. Jun Ang
,
Wang, W.
,
Schwalbe-Koda, D.
,
Axelrod, S.
, and
Gómez-Bombarelli, R.
,
“
Active Learning Accelerates Ab Initio Molecular Dynamics on Pericyclic Reactive Energy Surfaces
”
,
Chem
, vol. 7(3), pp. 738-51, 2020.