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