In the last few decades, computer simulations have become a fundamental tool in the field of
soft matter science, allowing researchers to investigate the properties of a large variety of …

Roughly at the time (1987) when the manuscript for the first three chapters of the present
book was completed, several breakthroughs occurred. They had a profound influence on the …

Exploring recent developments in the field, Coarse-Graining of Condensed Phase and
Biomolecular Systems examines systematic ways of constructing coarse-grained …

It is now 100 years since Lennard-Jones published his first paper introducing the now
famous potential that bears his name. It is therefore timely to reflect on the many …

An application of the “top-down” concept for the development of accurate coarse-grained
intermolecular potentials of complex fluids is presented. With the more common “bottom-up” …

In this article, we present coarse-grained potentials of ethylbenzene developed at 298 K and
of amorphous polystyrene developed at 500 K by the pressure-corrected iterative Boltzmann …

Transport properties of carbon dioxide and methane are predicted for temperatures between
(273.15 and 573.15) K and pressures up to 800 MPa by molecular dynamics simulations …

In many colloidal suspensions, the micrometer-sized particles behave like hard spheres, but
when non-adsorbing polymers are added to the solution a depletion attraction (of entropic …

When a fluid at a constant density ρ in between the densities of coexisting vapor (ρ v) and
liquid (ρ ℓ) at temperatures below criticality is studied in a (cubic) box of finite linear …

Coarse-grained (CG) models provide a computationally efficient means for investigating
biological and soft-matter processes that evolve on long time scales and large length scales …