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Zhuoran Qiao

Multi-task learning for electronic structure to predict and explore molecular potential energy surfaces

Nov 11, 2020
Zhuoran Qiao, Feizhi Ding, Matthew Welborn, Peter J. Bygrave, Daniel G. A. Smith, Animashree Anandkumar, Frederick R. Manby, Thomas F. Miller III

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* Accepted for presentation at the Machine Learning for Molecules workshop at NeurIPS 2020

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