A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble

Mark E Tuckerman, José Alejandre, Roberto López-Rendón, Andrea L Jochim, Glenn J Martyna

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Source: Crossref

Published: Apr 24, 2006

DOI: 10.1088/0305-4470/39/19/s18

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