The simplicity of hard spheres as a model system is deceptive. Although the particles
interact solely through volume exclusion, that nevertheless suffices for a wealth of static and …

Colloids display intriguing transitions between gas, liquid, solid and liquid crystalline
phases. Such phase transitions are ubiquitous in nature and have been studied for decades …

We review state-of-the-art Monte Carlo (MC) techniques for computing fluid coexistence
properties (Gibbs simulations) and adsorption simulations in nanoporous materials such as …

Materials whose dielectric constant varies spatially with submicrometer periodicity exhibit
diffractive optical properties which are potentially valuable in a number of existing and …

In this work we present an implementation for the calculation of the melting point of ice I h
from direct coexistence of the solid-liquid interface. We use molecular dynamics simulations …

New interatomic potentials describing defects, plasticity, and high temperature phase
transitions for Ti are presented. Fitting the martensitic hcp-bcc phase transformation …

In this review we focus on the determination of phase diagrams by computer simulation, with
particular attention to the fluid–solid and solid–solid equilibria. The methodology to compute …

The performance of existing force-field models for the calcium carbonate-water system has
been critically assessed with particular reference to the thermodynamic consequences. It is …

This book provides a broad overview of photonic crystals and, as the title suggests, covers
their principles and applications. It is written from a physics point of view with an emphasis …

" Extended Ensemble Monte Carlo" is a generic term that indicates a set of algorithms, which
are now popular in a variety of fields in physics and statistical information processing …