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Chemical Science

For findings of exceptional significance from across the chemical sciences
All articles free to read, free to publish* from 2015
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Edge Article

ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

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Corresponding authors
a
University of Florida, Department of Chemistry, PO Box 117200, Gainesville, USA 32611-7200
E-mail: roitberg@ufl.edu
b
University of North Carolina at Chapel Hill, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, Chapel Hill, USA 27599
E-mail: olexandr@olexandrisayev.com
Chem. Sci., 2017, Advance Article

DOI: 10.1039/C6SC05720A
Received 31 Dec 2016, Accepted 07 Feb 2017
First published online 08 Feb 2017
Open Access
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