Measure-preserving integrators for molecular dynamics in...

Chemical Physics 2010 Vol. 370; Iss. 1-3

Measure-preserving integrators for molecular dynamics in the isothermal–isobaric ensemble derived from the Liouville operator

Tang-Qing Yu, José Alejandre, Roberto López-Rendón, Glenn J. Martyna, Mark E. Tuckerman
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Volume:
370
Year:
2010
Language:
english
Pages:
12
DOI:
10.1016/j.chemphys.2010.02.014
File:
PDF, 1.31 MB
english, 2010
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