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 …

This article presents an overview of Monte Carlo methods for simulations of the phase
behaviour of fluids. The Gibbs ensemble method and histogram-reweighting Monte Carlo …

Choline-chloride based deep eutectic solvents (DES) have been used for several different
applications (eg, solubility, electrochemistry, and purifications) due to their relative …

Charged polymers are ubiquitous in biological systems because electrostatic interactions
can drive complicated structure formation and respond to environmental parameters such as …

The present topical review describes the concept of effective interactions between spherical
colloids in bulk solution. An introductive analysis based on the statistical mechanics of …

Inspired by recent experimental observations of anomalously large decay lengths in
concentrated electrolytes, we revisit the Restricted Primitive Model (RPM) for an aqueous …

The REACH regulation (recent EU regulation for “Registration, Evaluation, Authorization,
and Restriction of Chemicals”) entered its product-recording phase after December 2008. 1 …

A physically based mean-field theory of criticality and phase separation in the restricted
primitive model of an electrolyte (hard spheres of diameter a carrying charges±q) is …

A new generalized hyper-parallel tempering Monte Carlo simulation method is presented.
The method is particularly useful for simulation of many-molecule complex systems, where …

The conformational properties of single polyelectrolyte chains of various lengths in the
presence of counterions are investigated by molecular dynamics simulations. For Coulomb …