60 citations · 60 across the 2 of their papers we have counts for
2 papers
cond-mat.soft2013★ 60 cited
Thermodynamic consistency in variable-level coarse-graining of polymeric liquids
Anthony J. Clark, Jay McCarty, Ivan Y. Lyubimov +1
Numerically optimized reduced descriptions of macromolecular liquids often present thermodynamic inconsistency with atomistic level descriptions even if the total correlation funct…
cond-mat.soft2009
Multiscale Modeling of Coarse-Grained Macromolecular Liquids
J. McCarty, I. Y. Lyubimov, M. G. Guenza
A first-principle multiscale modeling approach is presented, which is derived from the solution of the Ornstein-Zernike equation for the coarse-grained representation of polymer li…