Open AccessANI-1: an extensible neural network potential with DFT accuracy at force field computational cost
Author(s) -
Stacy Smith,
Isayev,
Roitberg
Publication year - 2017
Publication title -
carolina digital repository (university of north carolina at chapel hill)
Language(s) - English
DOI - 10.17615/bhbf-9r93
Subject(s) - extensibility , artificial neural network , computer science , force field (fiction) , field (mathematics) , computational science , artificial intelligence , mathematics , programming language , pure mathematics