435 Molecular Simulation and Modeling of Complex Molecules


Description:
We invite papers presenting computational investigations of large-scale molecules (highly functionalized polymers, biomolecules, aromatics, etc.). Contributions at the quantum, atomistic, or coarse-grained length scales are all acceptable. Papers showing direct comparisons to experimental measurements or theoretical predictions are especially encouraged.

Sponsor:
Thermodynamics and Transport Properties


Chair:

Yamil Colón
Chemical Engineering, University of Notre Dame
Co-chairs:

Peng Bai
Chemical Engineering, University of Massachusetts Amherst, Amherst, MA

Kaihang Shi
Department of Chemical & Biological Engineering, Northwestern University, Evanston, IL

Abstract Submissions Closed
See more of this Group/Topical: Engineering Sciences and Fundamentals