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John Parkhill

3PUBLICATIONS

130CO-AUTHORS

Theoretical quantum chemistryElectrochemical energy storage and conversionCatalysis and mechanisms of reactions

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Publications (3)

Sort by Publication Date:

|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

Frequent Collaborators

3 joint publications

Kun Yao

2 joint publications

John E Herr

2 joint publications

Kevin Koh

1 joint publications

David W Toth

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