Open AccessSolvent-scaling as an alternative to coarse-graining in adaptive-resolution simulations: The adaptive solvent-scaling (AdSoS) scheme
Author(s) -
Alžbeta Kubincová,
Sereina Riniker,
Philippe H. Hünenberger
Publication year - 2021
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 - 10.1063/5.0057384
Subject(s) - granularity , scaling , solvation , solvent , mixing (physics) , statistical physics , chemistry , chemical physics , relaxation (psychology) , resolution (logic) , molecular dynamics , materials science , physics , computational chemistry , mathematics , computer science , quantum mechanics , organic chemistry , geometry , psychology , social psychology , operating system , artificial intelligence