Transferability of structure, thermodynamics, and dynamics in coarse-grained macromolecular liquids
ORAL
Abstract
The Integral Equation Coarse-Graining (IECG) approach is an analytically solved theory of coarse-graining for the structure, thermodynamics, and dynamics of macromolecular liquid, either in equilibrium or out of equilibrium. We present here a brief overview of the method and recent developments that optimizes computational efficiency, as well as applications of the IECG to liquids of macromolecules and their mixtures.
*This work was supported by the National Science Foundation Grant CHE-1362500.
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