Journal of Chemical Physics, Vol.116, No.22, 9616-9619, 2002
Stochastic molecular dynamics: A combined Monte Carlo and molecular dynamics technique for isothermal simulations
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.