Molecular modeling and simulations are invaluable tools for the polymer science and
engineering community. These computational approaches enable predictions and provide …

Polymer materials are multiscale systems by definition. Already the description of a single
macromolecule involves a multitude of scales, and cooperative processes in polymer …

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 …

Steady-state shear viscosity η (γ̇) of unconcatenated ring polymer melts as a function of the
shear rate γ̇ is studied by a combination of experiments, simulations, and theory …

We present a detailed study of the static and dynamic behaviors of long semiflexible polymer
chains in a melt. Starting from previously obtained fully equilibrated high molecular weight …

Ring polymers have fascinated scientists for decades, but experimental progress has been
challenging due to the presence of linear chain contaminants that fundamentally alter …

Recent theoretical studies found that mixtures of active and passive colloidal particles phase
separate but only at very high activity ratio. The high value poses serious obstacles for …

Molecular dynamics simulations confirm recent extensional flow experiments showing ring
polymer melts exhibit strong extension-rate thickening of the viscosity at Weissenberg …

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

Extensive molecular simulations are applied to characterize the equilibrium dynamics,
entanglement topology, and nonlinear extensional rheology of symmetric ring-linear …