Constant pressure Langevin dynamics: theory and application

DOI10.1016/J.CPC.2005.03.072zbMATH Open1196.76057DBLPjournals/cphysics/QuigleyP05OpenAlexW2088182347WikidataQ62517210 ScholiaQ62517210MaRDI QIDQ709770FDOQ709770

Authors: D. Quigley, M. I. J. Probert 

Publication date: 18 October 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2005.03.072

Recommendations

• Efficient Volume Changes in Constant-Pressure Monte Carlo Simulations
• scientific article; zbMATH DE number 1728490
• A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble
• The molecular-dynamics method for different statistical ensembles
• Anisotropic pressure molecular dynamics for atomic fluid systems

zbMATH Keywords

Langevin dynamicsab-initio molecular dynamicsnon-Hamiltonian systems

Mathematics Subject Classification ID

Dynamical systems in fluid mechanics, oceanography and meteorology (37N10)

Cited In (5)

• Uses and abuses of the Langevin equation for chemical reactions in condensed phases
• A gentle stochastic thermostat for molecular dynamics
• Efficient Volume Changes in Constant-Pressure Monte Carlo Simulations
• Molecular dynamics simulation of the liquid lead cavitation and stability under negative pressure
• Anisotropic pressure molecular dynamics for atomic fluid systems

Uses Software

• CASTEP

This page was built for publication: Constant pressure Langevin dynamics: theory and application

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q709770)