Stochastic molecular dynamics: A combined Monte Carlo and molecular dynamics technique for isothermal simulations
نویسندگان
چکیده
A hybrid Monte Carlo molecular dynamics technique is developed that gives equations of motion for an isothermal system. Test results for a Lennard-Jones fluid are shown to be in good agreement with the known equation of state. The physical interpretation of the procedure and the extension to isothermal–isobaric systems is also discussed. © 2002 American Institute of Physics. @DOI: 10.1063/1.1478057#
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