Open AccessA well-behaved theoretical framework for ReaxFF reactive force fields
Author(s) -
David Furman,
David J. Wales
Publication year - 2020
Publication title -
the 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 - 10.1063/5.0013906
Subject(s) - reaxff , classification of discontinuities , statistical physics , transferability , formalism (music) , quadratic equation , computer science , mathematics , physics , computational chemistry , classical mechanics , molecular dynamics , chemistry , mathematical analysis , geometry , logit , art , musical , interatomic potential , machine learning , visual arts
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