TY - JOUR
T1 - Grand-canonical ensemble monte carlo study of dense liquid lennard-jones, soft spheres and water
AU - Mezei, Mihaly
N1 - Funding Information:
This research was supported by NIH grant 5-R01-GM 24914 and by NSF grant CHE-8203501. Thanks are due to Professor David L. Beveridge for several useful discussions during the course of this project. One of the referees of a very early version is also thanked for helpful criticism.
PY - 1987/6/20
Y1 - 1987/6/20
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/84893016902
U2 - 10.1080/00268978700101321
DO - 10.1080/00268978700101321
M3 - Article
AN - SCOPUS:84893016902
SN - 0026-8976
VL - 61
SP - 565
EP - 582
JO - Molecular Physics
JF - Molecular Physics
IS - 3
ER -