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A Self-Attention Ansatz for Ab-initio Quantum Chemistry


Nov 24, 2022
Ingrid von Glehn, James S. Spencer, David Pfau

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Learned Force Fields Are Ready For Ground State Catalyst Discovery


Sep 26, 2022
Michael Schaarschmidt, Morgane Riviere, Alex M. Ganose, James S. Spencer, Alexander L. Gaunt, James Kirkpatrick, Simon Axelrod, Peter W. Battaglia, Jonathan Godwin

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Better, Faster Fermionic Neural Networks


Nov 13, 2020
James S. Spencer, David Pfau, Aleksandar Botev, W. M. C. Foulkes

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* To appear at the 3rd NeurIPS Workshop on Machine Learning and Physical Science 

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Ab-Initio Solution of the Many-Electron Schrödinger Equation with Deep Neural Networks


Sep 05, 2019
David Pfau, James S. Spencer, Alexander G. de G. Matthews, W. M. C. Foulkes

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