Molecular models in computer simulation of liquid crystals

A brief historical survey of progress in computer simulations of liquid crystal phases is provided. We stress the main ideas and developments in the field, concentrating on three different levels of molecular modelling: lattice models, soft nonspherical particles and atomistic models. Emphasis is pl...

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Bibliographic Details
Published in:Journal of molecular liquids 2001-06, Vol.92 (1), p.21-28
Main Authors: Ilnytskyi, J.M., Wilson, M.R.
Format: Article
Language:English
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Summary:A brief historical survey of progress in computer simulations of liquid crystal phases is provided. We stress the main ideas and developments in the field, concentrating on three different levels of molecular modelling: lattice models, soft nonspherical particles and atomistic models. Emphasis is placed on current state-of-the-art developments including a new parallel molecular dynamics algorithm design for the study of flexible liquid crystals.
ISSN:0167-7322
1873-3166
DOI:10.1016/S0167-7322(01)00174-X