A systematic multiscale coarse-graining (MS-CG) algorithm is applied to build coarse-
grained models for monosaccharides in aqueous solution. The methodology is …

We present a promising coarse-graining strategy for linking micro-and mesoscales of soft
matter systems. The approach is based on effective pairwise interaction potentials obtained …

Recent years have witnessed an explosion in computational power, leading to attempts to
model ever more complex systems. Nevertheless, there remain cases for which the use of …

The Mori-Zwanzig formalism for coarse-graining a complex dynamical system typically
introduces memory effects. The Markovian assumption of delta-correlated fluctuating forces …

We propose a method of bottom-up coarse-graining, in which interactions within a coarse-
grained model are determined by an artificial neural network trained on structural data …

Coarse-grained molecular dynamics (CGMD) is a technique developed as a concurrent
multiscale model that couples conventional molecular dynamics (MD) to a more coarse …

We present software package MagiC, which is designed to perform systematic structure-
based coarse graining of molecular models. The effective pairwise potentials between …

A method to combine fine-grained and coarse-grained simulations is presented. The coarse-
grained particles are described as virtual particles defined by the underlying fine-grained …

To study material phenomena simultaneously at various length scales, descriptions in which
matter can be coarse grained to arbitrary levels are necessary. Attempts to do this in the …

By using the standard theory of coarse graining based on Zwanzig's projection operator, we
derive the dynamic equations for discrete hydrodynamic variables. These hydrodynamic …