Thrust Group 1:
Catalyst Design, Discovery, and Engineering

The challenging fundamental chemical subject of catalyst molecule design defines the work of TG1. Essential expertise is required in:

The goals and objectives of TG1 center around a leadership capability in catalyst site design and preparation. They focus on the mechanism-based design of both homogeneous and heterogeneous catalysts sites, and on the special area of biocatalysts. TG 1 will use a catalyst discovery system modeled after that used for drug discovery by the pharmaceutical industry. This system begins with the target product and proceeds to the catalyst, on a mechanistic basis, but it is responsive to economic, synthetic, and environmental considerations. TG1 will also (a) create and maintain a catalyst database that, in addition to the literature on catalysts and catalytic processes, will contain environmental evaluations and assessments of the strengths and weaknesses of industrial catalytic processes, and a record of perceived opportunities for new catalysts, (b) function as a catalyst resource and inventory that stocks known catalysts, including new ones, to provide immediate availability to CEBC researchers. TG1 is positioned with respect to the crosscutting projects to produce both fundamental scientific results and enabling technologies that have strong implications at the engineered systems level.