Multi-task learning for electronic structure to predict and explore molecular potential energy surfaces
Zhuoran Qiao(Discovery Laboratories (United States)), Thomas F. Miller(California Institute of Technology), Frederick R. Manby(Ensco (United States)), Matthew Welborn(Ensco (United States)), Peter J. Bygrave(University of Southampton), Daniel G. A. Smith(Molecular Sciences Software Institute), Feizhi Ding, Animashree Anandkumar
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