2006 AIChE Annual Meeting

Session: Plenary Session on Computational Molecular Science and Engineering

This session will consist of invited presentations in the area of computational molecular science and engineering.

Chair

Randall Q. Snurr, Northwestern University

Co-Chair

Paulette Clancy, Cornell University

Presentations

08:30 AM

(514a) Equation-Free Modeling for Complex/Multiscale Systems
I. G. Kevrekidis

09:00 AM

(514b) Using First Principles Methods to Accelerate Materials Discovery for Hydrogen Production and Storage
David S. Sholl

09:30 AM

(514c) Creating and Harnessing Complex Reaction Networks
Linda J. Broadbelt

10:00 AM

(514d) Simulation of Self-Assembly in Colloidal and Polymeric Systems
Fernando A. Escobedo

10:30 AM

(514e) Cosmo-Rs: from Quantum Chemistry to Fluid Phase Thermodynamics
Andreas Klamt