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Monte-Carlo Simulations of the Gay-Berne Liquid Crystal Model
Snapshot of a constant temperature and pressure (NPT) Monte Carlo simulation of a Gay-Berne liquic crystal model. The Gay-Berne model reproduces the essential phase behaviour of thermotropic liquid crystal materials, and serves as a model anisotropic solvent for guest noble gas atoms and small probe molecules. The properties of the liquid crystal phase and the solute-solvent interaction are computationally investigated using the NMR parameters of the guests. Figure courtesy of Jouni Karjalainen.