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ABSTRACT
This article reviews recent progress in the computer simulation of liquid crystals at the molecular level. It covers the use of simple rigid-body models of the constituent molecules, and more detailed modelling via atomistic force fields. Bulk mesophases, inhomogeneous systems, and interfaces are discussed. Recent progress in calculating elastic properties and dynamics is summarised. As well as presenting an overview, some specific topics of recent interest are highlighted: the biaxial nematic phase, chiral phases, ionic liquid crystals, and charge-transfer systems.
GRAPHICAL ABSTRACT
Acknowledgements
The author would like to take this opportunity to thank the many students, postdoctoral researchers, and colleagues who have inspired him to work in this field over the years. Special thanks also go to the organisers of innumerable summer schools, workshops, and similar events which the author attended, initially as a student and later as a lecturer. The comments of the anonymous referees are gratefully acknowledged.
Disclosure statement
No potential conflict of interest was reported by the author.