The mechanical and physical properties of polymeric materials originate from the interplay of
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …

For optimal processing and design of entangled polymeric materials it is important to
establish a rigorous link between the detailed molecular composition of the polymer and the …

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 …

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 …

We apply a machine learning (ML) technique to the multiobjective design of polymer blend
electrolytes. In particular, we are interested in maximizing electrolyte performance measured …

Nonlinear extensional flows are common in polymer processing, but they remain
challenging theoretically because dramatic stretching of chains deforms the entanglement …

The topological effect of noncrossability of long flexible macromolecules is effectively
described by a slip-spring model, which represents entanglements by local, pairwise …

Using a benchtop NMR spectrometer, we performed proton multiple-quantum NMR
experiments to study the dynamics of well-entangled linear poly (butadiene), poly …

To optimize automation for polymer processing, attempts have been made to simulate the
flow of entangled polymers. In industry, fluid dynamics simulations with phenomenological …

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