Open AccessSteering a solute between coexisting solvation states: Revisiting nonequilibrium work relations and the calculation of free energy differences
Author(s) -
Maziar Heidari,
Robinson Cortes–Huerto,
Raffaello Potestio,
Kurt Kremer
Publication year - 2019
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 - 10.1063/1.5117780
Subject(s) - solvation , non equilibrium thermodynamics , thermodynamic integration , work (physics) , molecule , thermodynamics , chemistry , statistical physics , computational chemistry , chemical physics , molecular dynamics , physics , organic chemistry
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