Ensemble

Commonly used ensembles in MC simulation are:

-  Canonical (N,V,T)

- .Micro Canonical (N, V, E)

-  Grand Canonical ( , V, T)

-  Isobaric-Isothermal (N, P, T) (N, , T)

There are many more ensembles have been reported in the literature for the simulation of the specific problems. (N, , T) ensembles are known as constant stress ensemble. It is a derived ensemble from the Isobaric-Isothermal ensemble.