This article provides an overview of the present state-of-the-art pertaining to polymer
capacitor dielectrics appropriate for high electrostatic energy density applications. The …

We survey results of computer simulations for the structure and dynamics of supercooled
polymer melts and films. Our survey is mainly concerned with features of a coarse grained …

The Kremer–Grest (KG) polymer model is a standard model for studying generic polymer
properties in molecular dynamics simulations. It owes its popularity to its simplicity and …

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

We perform molecular dynamics simulations of a bead− spring polymer melt surrounding a
nanoscopic particle. We explore the effect of the polymer/nanoparticle interactions, surface …

Molecular dynamics simulations have been performed to study the effects of the cross-link
density and distribution on the network topology, the dynamic structural properties, the …

The multiscale dynamical behaviors of reversible cross-linked networks (vitrimers) are
investigated using coarse-grained molecular dynamics simulations, revealing that these …

In this paper, review of recent theoretical and simulation work on dynamical heterogeneity
and correlated particle motion in glass-forming liquids and polymers is presented. Evidence …

Theoretical descriptions of static properties of polymer brushes are reviewed, with an
emphasis on monodisperse macromolecules grafted to planar, cylindrical, or spherical …

As an important thermophysical property, polymers' glass transition temperature, Tg, could
sometimes be difficult to determine experimentally. Modeling methods, particularly data …