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

We introduce a hybrid projection scheme that combines linear Mori projection and
conditional Zwanzig projection techniques and use it to derive a generalized Langevin …

It has become standard practice to describe systems that remain far from equilibrium even in
their steady state by Langevin equations with colored noise which is chosen independently …

Molecular dynamics (MD) simulations based on coarse-grained (CG) particle models of
molecular liquids generally predict accelerated dynamics and misrepresent the time scales …

To investigate the impact of non-linear interactions on dynamic coarse graining, we study a
simplified model system featuring a tracer particle in a complex environment. Using a …

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) …

It has been become standard practice to describe steady-state non-equilibrium phenomena
by Langevin equations with colored noise and time-dependent friction kernels that do not …

The bulk viscosity, a transport coefficient in the Navier–Stokes equation, is often neglected in
the continuum mechanics of Newtonian fluids. Recently, however, the role of the bulk …

We introduce a machine-learning-based coarse-grained molecular dynamics model that
faithfully retains the many-body nature of the intermolecular dissipative interactions. Unlike …

The development of dynamically consistent coarse-grained models for molecular
simulations is often based on generalized Langevin equations, motivated by the application …