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Physical Chemistry

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Theoretical and Computational Chemistry

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Andrew E. Sifain

2 results in Authors: Andrew E. Sifain

Physical Chemistry

Predicting Phosphorescence Energies and Inferring Wavefunction Localization with Machine Learning

Andrew E. Sifain, Levi Lystrom, Richard A. Messerly, Justin Smith, Benjamin Nebgen, Kipton Barros, Sergei Tretiak, Nicholas Lubbers, Brendan J. Gifford

Version 3 posted 30 June 2021

829

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Theoretical and Computational Chemistry

Discovering a Transferable Charge Assignment Model Using Machine Learning

Andrew E. Sifain, Nicholas Lubbers, Benjamin T. Nebgen, Justin S. Smith, Andrey Y. Lokhov, Olexandr Isayev, Adrian E. Roitberg, Kipton Barros, Sergei Tretiak

Version 1 posted 22 June 2018

1,482

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