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

This paper describes and provides Z1+, the successor of the Z-and Z1-codes for topological
analyses of mono-and polydisperse entangled linear polymeric systems, in the presence or …

This review concerns modeling studies of the fundamental problem of entangled
(reptational) homopolymer diffusion in melts and nanocomposite materials in comparison to …

Primitive path analyses of entanglements are performed over a wide range of chain lengths
for both bead spring and atomistic polyethylene polymer melts. Estimators for the …

We have formulated the problem of generating dense packings of nonoverlap**, nontiling
nonspherical particles within an adaptive fundamental cell subject to periodic boundary …

Addition of nanoparticles to polymer melts can significantly alter the mechanical properties
of the resulting composite systems. Here we address the influence of nanorods on …

A unified Flory-type theory of dendron brushes, dendrimers, dendronized polymers, and
forests yields scaling rules, state diagrams and information on the collapse transition. The …

Molecular knots and entanglements form randomly and spontaneously in both biological
and synthetic polymer chains. It is known that macroscopic materials, such as ropes, are …

We present results from extensive Monte Carlo simulations on the crystallization of athermal
polymers under full confinement. Polymers are represented as freely jointed chains of …

We describe the direct observation of entropy-driven crystallization in simulations of dense
packings of linear hard-sphere chains. Crystal nuclei form spontaneously in the phase …