Anisotropic pressure molecular dynamics for atomic fluid systems

DOI10.1088/1751-8113/40/29/026MaRDI QIDQ3594698zbMATH OpenOpenAlexFDO

Authors M. Romero-Bastida, Roberto López-Rendón

Publication date 9 August 2007

Published in Journal of Physics A: Mathematical and Theoretical (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1088/1751-8113/40/29/026

zbMATH Keywords

equations of motiondensity distributionLiouville operatornon-Hamiltonian systemsLennard-Jones fluid

Mathematics Subject Classification ID

Statistical mechanics of liquids (82D15)

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Cited in

(4)

• Constant pressure Langevin dynamics: theory and application
• A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble
• Direct molecular \(NVT\) simulation of the isobaric heat capacity, speed of sound and Joule-Thomson coefficient
• A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the isobaric–isothermal ensemble

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