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

We review results concerning the critical behavior of spin systems at equilibrium. We
consider the Ising and the general O (N)-symmetric universality classes, including the N→ 0 …

Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …

The hypothesis that water has a second critical point at deeply supercooled conditions was
formulated to provide a thermodynamically consistent interpretation of numerous …

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 …

Ribonucleoprotein (RNP) granules are membraneless organelles (MLOs), which majorly
consist of RNA and RNA-binding proteins and are formed via liquid–liquid phase separation …

Molecular simulation allows researchers unique insight into the structures and interactions
at play in fluids. Since publication of the first edition of Molecular Simulation of Fluids, novel …

Cassandra is an open source atomistic Monte Carlo software package that is effective in
simulating the thermodynamic properties of fluids and solids. The different features and …

An approach for directly determining the liquid–vapor phase equilibrium of a model system
at any temperature along the coexistence line is described. The method relies on transition …

The vapor-liquid equilibria of three recently proposed water models have been computed
using Gibbs-Duhem simulations. These models are TIP4P/Ew, TIP4P/2005, and TIP4P/ice …