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Frederick R. Manby

UNiTE: Unitary N-body Tensor Equivariant Network with Applications to Quantum Chemistry

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Jun 06, 2021
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Multi-task learning for electronic structure to predict and explore molecular potential energy surfaces

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Nov 11, 2020
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OrbNet: Deep Learning for Quantum Chemistry Using Symmetry-Adapted Atomic-Orbital Features

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Jul 15, 2020
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