Hybrid ternary blends comprising two polymers and one mineral (nano) filler are
increasingly studied because they are starting to be widely used to respond to industrial …

A review is presented of molecular and mesoscopic computer simulations of liquid
crystalline systems. Molecular simulation approaches applied to such systems are …

Packing problems, such as how densely objects can fill a volume, are among the most
ancient and persistent problems in mathematics and science. For equal spheres, it has only …

Introduction to Molecular Dynamics Simulation Page 1 John von Neumann Institute for
Computing Introduction to Molecular Dynamics Simulation Michael P. Allen published in …

We have mapped out the complete phase diagram of hard spherocylinders as a function of
the shape anisotropy L/D. Special computational techniques were required to locate phase …

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

In this first part of a series of two papers, we present in considerable detail a collision-driven
molecular dynamics algorithm for a system of non-spherical particles, within a …

The phase transitions exhibited by systems of hard spherocylinders, with a diameter D and
cylinder length L, are re‐examined with the isothermal–isobaric Monte Carlo (MC‐NPT) …

Computer simulation studies of hard body particles have played an important role in the
current understanding of the liquid crystalline behavior of systems composed of rodlike …

In this paper, we report a generalized form for the range parameter governing the pair
interaction between soft ellipsoidal particles. For nonequivalent uniaxial particles, we extend …