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 …

Recent work exploring phase separation and self-assembly in multicomponent polymer
fluids using a particle-based self-consistent field simulation method is reviewed. The …

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 introduce an algorithm for the reduction of a computer generated atomistic polymer
sample to an entanglement network of primitive paths. These networks are structural …

Existing methods to obtain the primitive path network for monodisperse, linear polymers in
the molten state are critically compared. A connection is established between the original …

A quantitative understanding and prediction of the dynamics of entangled polymer melts is a
long-standing problem. In this work we present results about the dynamical and rheological …

We have studied tensile deformations of semicrystalline polyethylene (PE) with molecular
dynamics simulations at two different strain rates and temperatures. Compared to earlier …

The strain hardening behavior of model polymer glasses is studied with simulations over a
wide range of entanglement densities, temperatures, strain rates, and chain lengths …

A large number of well-equilibrated atomistic configurations of linear, strictly monodisperse
polyethylene (PE) melts of molecular length ranging from C24 up to C1000, obtained …