Biaxial nematic (N b) liquid crystals are a fascinating condensed matter phase that has
baffled, for more than thirty years, scientists engaged in the challenge of demonstrating its …

The use of accelerators such as graphics processing units (GPUs) has become popular in
scientific computing applications due to their low cost, impressive floating-point capabilities …

Introduction to Molecular Dynamics Simulation Page 1 John von Neumann Institute for
Computing Introduction to Molecular Dynamics Simulation Michael P. Allen published in …

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 …

Using results from colloid science we derive interaction potentials for computer simulations
of mixtures of soft or hard ellipsoids of arbitrary shape and size. Our results are in many …

In this paper, we report a generalized form for the range parameter governing the pair
interaction between soft ellipsoidal particles. For nonequivalent uniaxial particles, we extend …

The magnitude of backbone internal motions in the small protein ubiquitin that needs to be
invoked to account for dipolar coupling data measured in multiple alignment media is …

We present a generalized biaxial Gay–Berne potential describing the interaction between
two arbitrary, not necessarily identical,(AB) ellipsoidal particles. The model does not rely on …

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

We investigate main-chain liquid crystal elastomers (LCEs) formed by photoresponsive
azobenzene units with different populations of trans and cis conformers (from fully trans to …