An overwhelming diversity of colloidal building blocks with distinct sizes, materials and
tunable interaction potentials are now available for colloidal self-assembly. The application …

The embedded-atom method is a semi-empirical method for performing calculations of
defects in metals. The EAM incorporates a picture of metallic bonding, for which there is …

The MB-pol many-body potential has recently emerged as an accurate molecular model for
water simulations from the gas to the condensed phase. In this study, the accuracy of MB-pol …

Literature data on the thermophysical properties of the Lennard-Jones fluid, which were
sampled with molecular dynamics and Monte Carlo simulations, were reviewed and …

In the seven years since this volume first appeared. there has been an enormous expansion
of the range of problems to which Monte Carlo computer simulation methods have been …

Among all of the freezing transitions, that of water into ice is probably the most relevant to
biology, physics, geology, or atmospheric science. In this work, we investigate …

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 …

Coexistence between the fluid and solid phases of systems modelled by the inverse-power
potential φ (r)= ε (σ/r) n is studied as a function of the potential softness s≡ 1/n. Beginning …

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 …

Many well known difficulties associated with the use of two-body forces for the description of
metallic systems may be overcome by using an expression for the total energy of the form V …