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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




  • February 22, 2017. ICDC researcher, Jingyun Ye, received an award for her poster, “Computational Study of MOF-Supported Metal Catalysts for Ethylene Dimerization,” at the conference on New Challenges in Heterogeneous Catalysis at the King Abdullah University of Science and Technology (KAUST) in Thuwal, Saudi Arabia, Monday, Jan. 29.
  • December 21, 2017. ICDC researcher, Junwei "Lucas" Bao, has been named as one of two recipients of the 2018 Graduate Award in Theoretical Chemistry given by the American Chemical Society (ACS) Physical Chemistry Division.

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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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