MLatom 2: An Integrative Platform for Atomistic Machine Learning

Dral, PO; Ge, FC; Xue, BX; Hou, YF; Pinheiro, M; Huang, JX; Barbatti, M

Dral, PO (corresponding author), Fujian Prov Key Lab Theoret & Computat Chem, State Key Lab Phys Chem Solid Surfaces, Xiamen 361005, Peoples R China.; Dral, PO (corresponding author), Xiamen Univ, Dept Chem, Xiamen 361005, Peoples R China.; Dral, PO (corresponding author), Xiamen Univ, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China.

TOPICS IN CURRENT CHEMISTRY, 2021; 379 (4):

Abstract

Atomistic machine learning (AML) simulations are used in chemistry at an ever-increasing pace. A large number of AML models has been developed, but th......

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