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Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions

Nicholas Gao, Stephan Günnemann. Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions. In The Tenth International Conference on Learning Representations, ICLR 2022, Virtual Event, April 25-29, 2022. OpenReview.net, 2022. [doi]

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