Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.262, 533-541, 1995
Computer-Simulation of Liquid Crystal-Mixtures with the Gay-Berne Potential
We combined the Gay-Berne potential (with parameters optimized for typical liquid crystals) and the technique for simulation of mixtures. Using the Monte Carlo method, we studied spatial and orientational correlations for equimolar concentration. Preliminary two dimensional (2D) molecular dynamics results on time correlation functions are also presented.