This article reviews some of the recent progress in the simulation of liquid crystals across a
range of length and time scales. Simulators now have an extensive range of models at their …

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 …

A review is presented of molecular and mesoscopic computer simulations of liquid
crystalline systems. Molecular simulation approaches applied to such systems are …

Molecular dynamics integrators are presented for translational and rotational motion of rigid
molecules in microcanonical, canonical, and isothermal-isobaric ensembles. The integrators …

The simulation of systems of simple particles interacting through a suitable model potential
allows the identification of the essential physical features (anisotropy and biaxiality …

Liquid structure carries deep imprints of an inherent thermal invariance against a spatial
transformation of the underlying classical many-body Hamiltonian. At first order in the …

We describe the development of a coarse grained model for molecular dynamics (MD)
simulations of a liquid-crystalline (LC) compound with an azobenzene mesogen. It is …

We give details and derivations for the Noether invariance theory that characterizes the
spatial equilibrium structure of inhomogeneous classical many-body systems, as recently …

We present a systematic derivation of a coarse grained (CG) model for molecular dynamics
(MD) simulations of a liquid crystalline (LC) compound containing an azobenzene mesogen …

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 …