Complex materials are composed of basic units which invariably interact with anharmonic
potentials. It is well known that the dynamics of systems with anharmonic interaction are …

We review recent results from computer simulation studies of polymer glasses, from the
chain dynamics around the glass transition temperature Tg to the mechanical behaviour …

We review the methodology, algorithmic implementation and performance characteristics of
a hierarchical modeling scheme for the generation, equilibration and topological analysis of …

We review recent neutron scattering work and related results from simulation and
complementary techniques focusing on the microscopic dynamics of polymers under …

Considering topology among all polymer architectures polymer rings are unique, as they are
the simplest closed structures without ends. In this review we present recent experimental …

Long molecular dynamics simulations of the melt dynamics, glass transition and
nonisothermal crystallization of a C192 polyethylene model have been carried out. In this …

We use molecular dynamics simulations of the Kremer–Grest (KG) bead–spring model of
polymer chains of length between 10 and 500, and a closely related analogue that allows for …

This feature article reviews several aspects of computational approaches to polyethylene
melt and solid state properties in relation to existing experimental results. Based on 40 years …

The recent (from 2010 onward) contributions of quasielastic neutron scattering techniques
(time of flight, backscattering, and neutron spin echo) to the characterization and …

We present a static and quasi-elastic neutron scattering study on both the structure and
dynamics of a ring polymer in a ring and linear polymer melt, respectively. In the first case …