Issue 12, 2007

Molecular simulation of liquid crystals: progress towards a better understanding of bulk structure and the prediction of material properties

Abstract

This tutorial review covers recent progress in the field of computer simulation of liquid crystals. The development of the main “molecular-based” models for liquid crystals is described. These include lattice models, coarse-grained single site models based on hard and soft interaction potentials, atomistic models and multi-site coarse-grained models. A brief historical review is followed by an assessment of some of the new areas in this field, with an emphasis on understanding of molecular structure in liquid crystal phases and the prediction of bulk material properties. The article also looks to link the field of liquid crystal simulation with important developments in areas such as polymer simulation, lyotropic liquid crystals and model membranes.

Graphical abstract: Molecular simulation of liquid crystals: progress towards a better understanding of bulk structure and the prediction of material properties

Article information

Article type
Tutorial Review
Submitted
16 May 2007
First published
27 Jun 2007

Chem. Soc. Rev., 2007,36, 1881-1888

Molecular simulation of liquid crystals: progress towards a better understanding of bulk structure and the prediction of material properties

M. R. Wilson, Chem. Soc. Rev., 2007, 36, 1881 DOI: 10.1039/B612799C

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