John Parkhill
3PUBLICATIONS
130CO-AUTHORS
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Publications (3)
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|Sep 02, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng
|Sep 01, 2019
Compressing physics with an autoencoder: Creating an atomic species representation to improve machine learning models in the chemical sciences.John E Herr, Kevin Koh, Kun Yao
|Jul 02, 2018
Metadynamics for training neural network model chemistries: A competitive assessment.John E Herr, Kun Yao, Ryker McIntyre
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Frequent Collaborators
3 joint publications
Kun Yao
2 joint publications
John E Herr
2 joint publications
Kevin Koh
1 joint publications
David W Toth
1 joint publications
Yuezhi Mao
1 joint publications
Alec F White
1 joint publications
Marc P Coons
1 joint publications
Adrian L Dempwolff
1 joint publications
Diptarka Hait
1 joint publications
Daniel S Levine
