Polymer networks are complex systems consisting of molecular components. Whereas the
properties of the individual components are typically well understood by most chemists …

Molecular dynamics simulations were conducted to investigate the dynamic properties of
melts of nonconcatenated ring polymers and compared to melts of linear polymers. The …

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 …

Nonequilibrium molecular dynamics simulations are used to show that the shear viscosity of
a polymer melt can be significantly reduced when filled with small energetically neutral …

In this work, we extend an approach to coarse-grained (CG) modeling for polymer melts in
which the conservative potential is parametrized using the iterative Boltzmann inversion (IBI) …

Biomolecular condensates are important contributors to the internal organization of the cell
material. While initially described as liquid-like droplets, the term biomolecular condensates …

Inspired by advances in the chemical synthesis of interlocking polymer architectures,
extensive molecular dynamics simulations have been conducted to study the dynamical …

We report a multiscale modeling approach to study static and dynamical properties of
polymer melts at large time and length scales. We use a bottom-up approach consisting of …

We use molecular simulations to probe the local viscoelasticity of an entangled polymer melt
by tracking the motion of embedded nonsticky nanoparticles (NPs). As in conventional …

Viscoelastic properties of polymer melts are particularly challenging to compute due to the
intrinsic stress fluctuations in molecular dynamics (MD). We compared equilibrium and non …