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 …

A methodology is described to systematically derive coarse-grained (CG) force fields for
molecular liquids from the underlying atomistic-scale forces. The coarse graining of an …

Several molecular coarse-graining methods have been proposed in recent years to derive
chemical-and state-point transferable force fields. While these force fields describe structural …

Coarse-grained (CG) models facilitate efficient simulation of complex systems by integrating
out the atomic, or fine-grained (FG), degrees of freedom. Systematically derived CG models …

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 …

Bottom-up coarse-graining methods provide systematic tools for creating simplified models
of molecular systems. However, coarse-grained (CG) models produced with such methods …

Coarse-grained models of complex liquids are becoming increasingly important in
simulations of complex fluids because they substantially reduce computational time while …

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

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 …

Coarse-grained (CG) models of molecular systems, with fewer mechanical degrees of
freedom than an all-atom model, are used extensively in chemical physics. It is generally …