In this Chapter, we present the general statistical-mechanical theory for the derivation of
effective Hamiltonians for arbitrary many-body systems in thermodynamic equilibrium. The …

Abstract The Yvon-Born-Green (YBG) integral equation is a basic result of liquid state theory
that relates the pair potential of a simple fluid to the resulting equilibrium two-and three-body …

A model system of identical particles interacting via a hard-sphere potential is essential in
condensed matter physics; it helps to understand in and out of equilibrium phenomena in …

Recent efforts have shown that the dynamic properties of a wide class of liquids can be
mapped onto semi-universal scaling laws and constitutive relations that are motivated by …

Conspectus Low-resolution coarse-grained (CG) models provide the necessary efficiency
for simulating phenomena that are inaccessible to more detailed models. However, in order …

Many problems of interest in modern science originate from the complex network of
interactions of different molecular structures, each possessing its own typical length and time …

We have developed an approach to coarse-grained (CG) modeling of the van der Waals
(vdW) type of interactions among molecules by representing groups of atoms within those …

These lecture notes present an overview of equilibrium statistical mechanics of classical
fluids, with special applications to the structural and thermodynamic properties of systems …

Multiscale modelling of soft matter is an emerging field that has made rapid progress in the
past decade. Several methods for systematic coarse-graining of molecular liquids and soft …

We reconsider the structure-based route to coarse graining in which the coarse-grained
model is defined in such a way to reproduce some distribution functions of the original …