Inorganometallic Catalyst Design Center

  • 207 Pleasant Street SE, Smith Hall

    55455 Minneapolis

    United States

Organization profile

Organization profile

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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    • Network Recent external collaboration on country level. Dive into details by clicking on the dots.

    Profiles

    No photo of Aditya Bhan

    Aditya Bhan

    Person: Faculty, Honorary

    20032024
    Photo of Melanie F Burns

    Melanie F Burns

    Person: Honorary, Academic Administrative

    No photo of Indrani Choudhuri

    Indrani Choudhuri

    Person: Honorary

    20142019

    Projects

    Energy Frontier Research Center For Inorganometallic Catalyst Design (DE-SC0012702)

    Gagliardi, L., Cramer, C., Lu, C. C., Penn, L., Stein, A. & Truhlar, D. G.

    United States Department of Energy

    8/1/14 → 7/31/18

    Project: Research project

    Research Output

    • 121 Article
    • 3 Review article
    • 1 Conference contribution

    Quantum Chemical Characterization of Structural Single Fe(II) Sites in MIL-Type Metal-Organic Frameworks for the Oxidation of Methane to Methanol and Ethane to Ethanol

    Vitillo, J. G., Bhan, A., Cramer, C. J., Lu, C. C. & Gagliardi, L., Apr 5 2019, In : ACS Catalysis. 9, 4, p. 2870-2879 10 p.

    Research output: Contribution to journal › Article

    • 9 Scopus citations

    Application and Limitations of Nanocasting in Metal-Organic Frameworks

    Malonzo, C. D., Wang, Z., Duan, J., Zhao, W., Webber, T. E., Li, Z., Kim, I. S., Kumar, A., Bhan, A., Platero-Prats, A. E., Chapman, K. W., Farha, O. K., Hupp, J. T., Martinson, A. B. F., Penn, L. & Stein, A., Mar 5 2018, In : Inorganic chemistry. 57, 5, p. 2782-2790 9 p.

    Research output: Contribution to journal › Article

    • 3 Scopus citations

    Beyond the Active Site: Tuning the Activity and Selectivity of a Metal-Organic Framework-Supported Ni Catalyst for Ethylene Dimerization

    Liu, J., Ye, J., Li, Z., Otake, K. I., Liao, Y., Peters, A. W., Noh, H., Truhlar, D. G., Gagliardi, L., Cramer, C. J., Farha, O. K. & Hupp, J. T., Sep 12 2018, In : Journal of the American Chemical Society. 140, 36, p. 11174-11178 5 p.

    Research output: Contribution to journal › Article

    • 31 Scopus citations