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Journal article
Preprint
Date
2023
2020
Atomistic learning in the electronically grand-canonical ensemble
Xi Chen
,
Muammar El Khatib
,
Per Lindgren
,
Adam Willard
,
Andrew J. Medford
,
Andrew A. Peterson
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Open Chemistry, JupyterLab, REST, and quantum chemistry
Marcus D Hanwell
,
Chris Harris
,
Alessandro Genova
,
Mojtaba Haghighatlari
,
Muammar El Khatib
,
Patrick Avery
,
Johannes Hachmann
,
Wibe Albert Jong
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ML4Chem : A Machine Learning Package for Chemistry and Materials Science
Muammar El Khatib
,
Wibe de Jong
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