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.

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Authors

  • Mohammadhasan Dinpajooh

    University of Oregon

  • Marina Guenza

    University of Oregon, University of Oregon Department of Chemistry and Biochemistry