Large-scale computational molecular models provide scientists a means to investigate the
effect of microscopic details on emergent mesoscopic behavior. Elucidating the relationship …

Dissipative particle dynamics (DPD) is one of the most efficient mesoscale coarse-grained
methodologies for modeling soft matter systems. Here, we comprehensively review the …

Coarse‐grained (CG) modeling is an invaluable tool for the study of polymers and other soft
matter systems due to the span of spatiotemporal scales that typify their physics and …

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 …

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 development of data-informed predictive models for dynamical systems is of
widespread interest in many disciplines. We present a unifying framework for blending …

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 …

In recent years, it has become increasingly popular to construct coarse-grained models with
non-Markovian dynamics to account for an incomplete separation of time scales. One …

Klaus Hasselmann's revolutionary intuition in climate science was to use the stochasticity
associated with fast weather processes to probe the slow dynamics of the climate system …