768 Rational Catalyst Design II:Computational Design of Catalytic Systems

Friday, November 18, 2016: 8:30 AM - 11:00 AM
Imperial B (Hilton San Francisco Union Square)
Rational catalyst design has the potential to speed up the discovery of new materials with tailored properties and eventually eliminate trial-and-error testing. The identification of relevant descriptors, screening methods, and the development of structure-property relationships are just a few examples that illustrate these efforts. This session welcomes contributions that describe experimental or theoretical methods that aim to enable the rational design catalytic materials with improved activity, selectivity, stability, or poison resistance. Section I of Rational Catalyst Design focuses on the rational design of catalyst active sites and their surrounding environments to achieve improved activity, selectivity, or stability.

Catalysis and Reaction Engineering Division

Andrew A. Peterson
Email: Andrew_Peterson@brown.edu

Timothy Van Cleve
Email: timothy.vancleve@colorado.edu

See more of this Group/Topical: Catalysis and Reaction Engineering Division