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Published on: May 29, 2018
Molecular simulation of liquid crystals: progress towards a better understanding of bulk structure and the prediction
1Department of Chemistry, University of Durham, Durham, UK DH1 3LE. mark.wilson@durham.ac.uk
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.
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