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Chemical Science

Volumn 8, Issue 4, 2017, Pages 3192-3203

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

(3) Smith, J S a Isayev, O b Roitberg, A E a

a UNIVERSITY OF FLORIDA (United States)

b University of North Carolina at Chapel Hill (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CHARACTER RECOGNITION; CONFORMATIONS; DENSITY FUNCTIONAL THEORY; MOLECULES; QUANTUM THEORY; SPEECH RECOGNITION;

COMPUTATIONAL COSTS; CONFORMATIONAL SPACE; MOLECULAR CONFORMATION; MOLECULAR POTENTIAL; MOLECULAR REPRESENTATIONS; QUANTUM MECHANICAL; SCIENCE AND TECHNOLOGY; TRANSFERABLE POTENTIALS;

DEEP NEURAL NETWORKS;

EID: 85016436037 PISSN: 20416520 EISSN: 20416539 Source Type: Journal
DOI: 10.1039/C6SC05720A Document Type: Article

Times cited : (1629)

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