Open AccessThermostating extended Lagrangian Born-Oppenheimer molecular dynamics
Author(s) -
Enrique Martínez,
M. J. Cawkwell,
Arthur F. Voter,
Anders M. N. Niklasson
Publication year - 2015
Publication title -
the journal of chemical physics
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4917546
Subject(s) - thermostat , langevin dynamics , convergence (economics) , molecular dynamics , born–oppenheimer approximation , lagrangian , statistical physics , canonical ensemble , physics , mathematics , monte carlo method , quantum mechanics , thermodynamics , statistics , molecule , economics , economic growth
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