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Molecular simulation of liquid crystals

Research output: Contribution to journalReview article

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Molecular simulation of liquid crystals. / Allen, Michael.

In: Molecular Physics, Vol. 117, No. 18, 17.09.2019, p. 2391-2417.

Research output: Contribution to journalReview article

Harvard

Allen, M 2019, 'Molecular simulation of liquid crystals', Molecular Physics, vol. 117, no. 18, pp. 2391-2417. https://doi.org/10.1080/00268976.2019.1612957

APA

Vancouver

Author

Allen, Michael. / Molecular simulation of liquid crystals. In: Molecular Physics. 2019 ; Vol. 117, No. 18. pp. 2391-2417.

Bibtex

@article{301260abc0f04e7495e35b996a7ed172,
title = "Molecular simulation of liquid crystals",
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.",
keywords = "Liquid crystals, molecular dynamics, molecular simulation, Monte Carlo",
author = "Michael Allen",
year = "2019",
month = "9",
day = "17",
doi = "10.1080/00268976.2019.1612957",
language = "English",
volume = "117",
pages = "2391--2417",
journal = "Molecular Physics",
issn = "0026-8976",
publisher = "Taylor & Francis Group",
number = "18",

}

RIS - suitable for import to EndNote

TY - JOUR

T1 - Molecular simulation of liquid crystals

AU - Allen, Michael

PY - 2019/9/17

Y1 - 2019/9/17

N2 - 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.

AB - 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.

KW - Liquid crystals

KW - molecular dynamics

KW - molecular simulation

KW - Monte Carlo

UR - http://www.scopus.com/inward/record.url?scp=85070276232&partnerID=8YFLogxK

U2 - 10.1080/00268976.2019.1612957

DO - 10.1080/00268976.2019.1612957

M3 - Review article

VL - 117

SP - 2391

EP - 2417

JO - Molecular Physics

JF - Molecular Physics

SN - 0026-8976

IS - 18

ER -