A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics Simulations
2018
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Title
A Versatile Multiple Time Step Scheme for Efficient ab Initio Molecular Dynamics Simulations
Author(s)
Liberatore, Elisa ; Meli, Rocco ; Röthlisberger, Ursula
Published in
Journal of Chemical Theory and Computation
Volume
14
Issue
6
Pages
2834-2842
Date
2018-04-06
Other identifier(s)
DOI: https://doi.org/10.1021/acs.jctc.7b01189
Laboratories
LCBC
Record Appears in
Scientific production and competences > SB - School of Basic Sciences > ISIC - Institute of Chemical Sciences and Engineering > LCBC - Laboratory of Computational Chemistry and Biochemistry
Peer-reviewed publications
Work produced at EPFL
Journal Articles
Published
Peer-reviewed publications
Work produced at EPFL
Journal Articles
Published
Record creation date
2018-04-24