Open AccessOptimization of the Reax force field for the lithium–oxygen system using a high fidelity charge model
Author(s) -
Kurt A. O’Hearn,
Michael W. Swift,
Jialin Liu,
Ilias Magoulas,
Piotr Piecuch,
Adri C. T. van Duin,
Hasan Metin Aktulga,
Yue Qi
Publication year - 2020
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0014406
Subject(s) - lithium (medication) , oxygen , high fidelity , charge (physics) , fidelity , field (mathematics) , force field (fiction) , materials science , computer science , physics , artificial intelligence , mathematics , medicine , acoustics , telecommunications , quantum mechanics , pure mathematics , endocrinology