Metropolis Monte Carlo

Metropolis Monte Carlo (MMC)

MMC Simulations can be carried out in different ensembles. For the case of one-component systems the usual ensembles are:

• Canonical ensemble ($NVT$ )

• Isothermal-Isobaric ensemble ($NpT$)

• Grand Canonical Ensemble ($\mu VT$)

The purpose of these techniques is to sample representative configurations of the system at the corresponding thermodynamic conditions.

The samplinng techniques make use the so-called Pseudo-Random Numbers generators

References

M.P. Allen and D.J. Tildesley , etc