Graph dynamical networks for unsupervised learning of atomic scale dynamics in materials - Xie, Tian; France-Lanord, Arthur; Wang, Yanming; Shao-Horn, Yang; Grossman, Jeffrey C. (Nature communications, 2019)
Keywords: 639/301; 639/301/1034/1037; 639/705/117; Amorphous materials; Approximation; Automation; Deep learning; Electrolytes; Functional materials; Humanities and Social Sciences; Interfaces; Lithium; Lithium ions; MATERIALS SCIENCE; Molecular dynamics; multidisciplinary; Neural networks; Science; Science & Technology - Other Topics; Science (multidisciplinary); Simulation; Unsupervised learning; Water chemistry