Diffusion in Lennard-Jones fluids using dual control volume grand canonical molecular dynamics simulation (DCV-GCMD)

Molecular dynamics simulations at constant pressure and/or temperature

1980 • 5,396 citations

Role of Repulsive Forces in Determining the Equilibrium Structure of Simple Liquids

1971 • 4,850 citations

Some Topics in the Theory of Fluids

1963 • 2,856 citations

Diffusion, mobility and their interrelation through free energy in binary metallic systems

1948 • 834 citations

A comparison of constant energy, constant temperature and constant pressure ensembles in molecular dynamics simulations of atomic liquids

1984 • 373 citations

Transport diffusivity of methane in silicalite from equilibrium and nonequilibrium simulations

1993 • 321 citations

Statistical mechanics of fluids at spherical structureless walls

1983 • 126 citations

Molecular dynamics and Monte Carlo simulations in the grand canonical ensemble: Local versus global control

1993 • 122 citations

Heat and matter transport in binary liquid mixtures

1986 • 121 citations

Grand Molecular Dynamics: A Method for Open Systems

1991 • 97 citations

Statistical surface physics: a perspective via computer simulation of microclusters, interfaces and simple films

1982 • 95 citations

Lennard-Jones Mixtures in a Cylindrical Pore. A Comparison of Simulation and Density Functional Theory

1989 • 53 citations