This review is devoted to discussing recent progress on the structure, thermodynamic,
reactivity, and dynamics of water and aqueous systems confined within different types of …

Coarse-grained (CG) models have proven to be very effective tools in the study of
phenomena or systems involving large time-and length-scales. By decreasing the degrees …

has become a standard tool in condensed matter physics, with applications including glass,
jamming, melting or crystallization transitions, and cluster formation. Here, we discuss two …

Empty liquids represent a wide class of materials whose constituents arrange in a random
network through reversible bonds. Many key insights on the physical properties of empty …

We report a computer-simulation study of the equilibrium phase diagram of a three-
dimensional system of particles with a repulsive-step potential. Using free-energy …

We investigate by molecular dynamics simulations a continuous isotropic core-softened
potential with attractive well in three dimensions, introduced by Franzese [J. Mol. Liq. 136 …

Recent efforts have attempted to understand many of liquid water's anomalous properties in
terms of effective spherically-symmetric pairwise molecular interactions entailing two …

In this work, we develop coarse-grained (CG) force fields for water, where the effective CG
intermolecular interactions between particles are estimated from an accurate description of …

We report a computer-simulation study of the equilibrium phase diagram of a three-
dimensional system of particles with a repulsive-shoulder potential. The phase diagram was …

We perform molecular dynamics simulations of water using the five-site transferable
interaction potential (TIP5P) model to quantify structural order in both the first shell (defined …