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Inorganometallic Catalyst Design Center

Welcome. The Inorganometallic Catalyst Design Center (ICDC) is an Energy Frontier Research Center funded by the United States Department of Energy. The ICDC is devoted to computationally-guided discovery of a new class of energy-science-relevant catalytic materials and the underlying structure-function relationships that will guide further catalyst discovery. The catalysts determined in the ICDC are intended to be used for natural gas conversion from alkanes to alcohols.

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The Inorganometallic Catalyst Design Center, Chemical Theory Center, and Nanoporous Materials Genome Center are now accepting applications for the 2018 Summer Undergraduate Theoretical Chemistry Research Fellowship.


2018 presenter schedule — updated 12/21/2017




  • April 26, 2018. ICDC director, Laura Gagliardi, has been honored with a prestigious Humboldt Research Award from the Alexander von Humboldt Foundation, which will enable her to conduct research with scientists in Germany in 2019.
  • March 22, 2018.
    Research by a team of ICDC researchers led by Laura Gagliardi and Christopher Cramer is published in an article titled, "Study elucidates mechanism of MOF-mediated catalysis" in CE&N.

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This work was supported as part of the Inorganometallic Catalyst Design Center, an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES), under Award DE-SC0012702.

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