Preserving the correct dynamics at the coarse-grained (CG) level is a pressing problem in
the development of systematic CG models in soft matter simulation. Starting from the seminal …

Abstract Active matter, responsive (“smart”) materials and materials under time-dependent
load are systems out of thermal equilibrium. To construct coarse-grained models for such …

We introduce a method to accurately and efficiently estimate the effective dynamics of
collective variables in molecular simulations. Such reduced dynamics play an essential role …

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

Coarse-grained (CG) models can provide computationally efficient and conceptually simple
characterizations of soft matter systems. While generic models probe the underlying physics …

We present data-driven coarse-grained (CG) modeling for polymers in solution, which
conserves the dynamic as well as structural properties of the underlying atomistic system …

The generalized Langevin equation is a model for the motion of coarse-grained particles
where dissipative forces are represented by a memory term. The numerical realization of …

The present work concerns the transferability of coarse-grained (CG) modeling in
reproducing the dynamic properties of the reference atomistic systems across a range of …

Coarse-graining (CG) approaches are becoming essential tools in the study of complex
systems because they can considerably speed up computer simulations, with the promise of …

Coarse-grained (CG) simulation models of condensed-phase systems can be derived with
well-established methods that perform coarse-graining in space and provide an effective …