Molecular dynamics and Monte Carlo techniques are employed for the study of binary Lennard-Jones fluids. Systematic comparisons between the predictions of both techniques are discussed, with particular emphasis on the dependency of the structural properties with respect to temperature and Lennard-Jones potential parameters. © 2012 Elsevier B.V. All rights reserved.
Lima, A. P., Martins, A. S., & Sá Martins, J. S. (2012). Lennard-Jones binary fluids: A comparative study between the molecular dynamics and Monte Carlo descriptions of their structural properties. Physica A: Statistical Mechanics and Its Applications, 391(18), 4281–4289. https://doi.org/10.1016/j.physa.2012.04.003