The multiscale coarse-graining (MS-CG) method is a method for determining the effective
potential energy function for a coarse-grained (CG) model of a system using the data …

Coarse-grained (CG) models provide a computationally efficient method for rapidly
investigating the long time-and length-scale processes that play a critical role in many …

The multiscale coarse-graining (MS-CG) method [S. Izvekov and GA Voth, J. Phys. Chem. B
109, 2469 (2005); J. Chem. Phys. 123, 134105 (2005)] employs a variational principle to …

The multiscale coarse-graining (MS-CG) method is a method for constructing a coarse-
grained (CG) model of a system using data obtained from molecular dynamics simulations of …

This work develops a method for the construction of multiscale coarse-grained (MS-CG)
force fields at different temperatures based on available atomistic data at a given reference …

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 …

Molecular dynamics MD simulation is an invaluable tool in understanding structural and
dynamical properties of condensed phase systems. 1, 2 MD simulations with all-atom …

A statistical mechanical framework elucidates the significance of structural correlations
between coarse-grained (CG) sites in the multiscale coarse-graining (MS-CG) method …

The multiscale coarse-graining (MS-CG) method uses simulation data for an atomistic model
of a system to construct a coarse-grained (CG) potential for a coarse-grained model of the …

The multiscale coarse-graining (MS-CG) method is a method for determining the effective
potential energy function for a coarse-grained (CG) model of a molecular system using data …