Grand-canonical ensemble Monte Carlo study of dense liquid

Abstract

The cavity biased Monte Carlo method for the (T, V, μ) ensemble has been tested on a system of Lennard-Jones particles near the triple point in the liquid and fluid state, on a system of dense soft spheres and on liquid water at room temperature. We demonstrate that the original (T, V, μ) algorithm of Adams is capable to provide accurate density at much higher densities than it was originally thought possible.