Testing experimental analysis techniques for liquid crystals using computer simulation

Abstract

Computer simulation has been used widely over the last two decades to investigate the phase behaviour and physical properties of liquid crystal systems. Here we review studies in which simulations have been used to calculate information on the physical properties of liquid crystals in a pseudo‐experimental way. We concentrate on the calculation of ‘experimental data’ from computer simulations, from which we can extract information on the structure and dynamics of the nematic and smectic A phases. Where relevant, these are compared with both existing theoretical and experimental results. In particular, routes between the raw experimental data and physical parameters such as the orientational order parameter are highlighted and their effectiveness investigated.