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Computer Simulation of Liquid Crystals

We have extensive experience of simulating liquid crystalline behaviour at a range of length-scales. At a molecular scale, we have developed a particular expertise in mixture systems and in anchoring at patterned substrates.

At a larger length-scale, we have developed novel approaches to liquid crystal simulation using Smooth Particle Hydrodynamics and, with Dr Tim Spencer, Lattice Boltzmann methods. Much of this work has been undertaken in close collaboration with leading device designers, leading to models with predictive utility for real-world applications.


D.J. Cleaver, C.M. Care, M.P. Allen and M.P. Neal, "Generalisation and Extension of the Gay-Berne Potential", Phys. Rev. E, 54, 559 (1996);

D.J. Cleaver and P.I.C. Teixeira, “Discontinuous Structural Transition in a Thin Hybrid Liquid Crystal Film”, Chem. Phys. Letts., 338, 1 (2001);

C.M. Care and D.J. Cleaver, "Computer simulation liquid crystals” Rep. Prog. Phys. 68, 2665 (2005);

J.P. Bramble, S.D. Evans, J.R. Henderson, C. Anquetil, D.J. Cleaver and N.J. Smith, “Nematic liquid crystal alignment on chemical patterns”, Liq. Cryst. 34, 1059 (2007);

M.V. Yakutovich, C.M. Care, C.J.P. Newton and D.J. Cleaver, “Mesh-free modelling of liquid crystals using modified smoothed particle hydrodynamics”, Phys. Rev. E. 82, 041703 (2010);

C. Anquetil-Deck, D.J. Cleaver, J. P. Bramble and T.J. Atherton, “Independent control of polar and azimuthal anchoring”, Phys. Rev. E 88, 012501 (2013);

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