Open AccessFree energy barriers from biased molecular dynamics simulations
Author(s) -
Kristof M. Bal,
Satoru Fukuhara,
Yasushi Shibuta,
Erik C. Neyts
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 - 10.1063/5.0020240
Subject(s) - metastability , statistical physics , molecular dynamics , transition state theory , quantum , invariant (physics) , gauge (firearms) , energy profile , energy (signal processing) , simple (philosophy) , umbrella sampling , physics , classical mechanics , chemistry , computational chemistry , materials science , kinetics , quantum mechanics , reaction rate constant , philosophy , epistemology , metallurgy
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