A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble
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Publication:5466919
DOI10.1088/0305-4470/39/19/S18zbMath1098.81096OpenAlexW2151048836MaRDI QIDQ5466919
José Alejandre, Andrea L. Jochim, Roberto López-Rendón, Mark E. Tuckerman, Glenn J. Martyna
Publication date: 22 May 2006
Published in: Journal of Physics A: Mathematical and General (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1088/0305-4470/39/19/s18
Molecular physics (81V55) Statistical thermodynamics (82B30) Generalized coordinates; event, impulse-energy, configuration, state, or phase space for problems in mechanics (70G10)
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