Accelerating equilibrium isotope effect calculations. II. Stochastic implementation of direct estimators
2019
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Title
Accelerating equilibrium isotope effect calculations. II. Stochastic implementation of direct estimators
Author(s)
Karandashev, Konstantin ; Vaníček, Jiří
Published in
The Journal of Chemical Physics
Volume
151
Issue
13
Pages
134116
Date
2019-10-07
Other identifier(s)
DOI: https://doi.org/10.1063/1.5124995
Laboratories
LCPT
Record Appears in
Scientific production and competences > SB - School of Basic Sciences > ISIC - Institute of Chemical Sciences and Engineering > LCPT - Laboratory of Theoretical Physical Chemistry
Peer-reviewed publications
Work produced at EPFL
Journal Articles
Published
Peer-reviewed publications
Work produced at EPFL
Journal Articles
Published
Grant
FNS-NCCR: 200020_150098
Record creation date
2019-10-11