Computational Molecular Science and Engineering Forum

Session 514 - 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
CoChair:Paulette Clancy
 Equation-Free Modeling for Complex/Multiscale Systems
Yannis G. Kevrekidis
 Using First Principles Methods to Accelerate Materials Discovery for Hydrogen Production and Storage
David S. Sholl
 Creating and Harnessing Complex Reaction Networks
Linda J. Broadbelt
 Simulation of Self-Assembly in Colloidal and Polymeric Systems
Fernando A. Escobedo
 Cosmo-Rs: from Quantum Chemistry to Fluid Phase Thermodynamics
Andreas Klamt

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