Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Active Learning Accelerates Ab Initio Molecular Dynamics on Pericyclic Reactive Energy Surfaces
, Authors:
Shi Jun Ang, Wujie Wang, Daniel Schwalbe-Koda, Simon Axelrod, Rafael Gomez-Bombarelli
Version 2 posted 23 April 2020
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