Coarse-Grained Models for Local Density Gradients

M.R. DeLyser & W.G. Noid
Coarse-grained (CG) models provide superior computational efficiency for simulating soft materials. Unfortunately, CG models with conventional pair-additive potentials demonstrate limited transferability between bulk and interfacial environments. Recently, a growing number of CG models have supplemented these pair potentials with one-body potentials of the local density (LD) around each site. These LD potentials can significantly improve the accuracy and transferability of CG models. Nevertheless, it remains challenging to accurately describe interfaces where the LD varies rapidly....
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