Inorganometallic Catalyst Design Center (ICDC)

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Director

Laura Gagliardi

Lead Institution

University of Minnesota

Class

2014-2022

Mission

To discover new classes of energy-science relevant catalytic materials, especially through the exploitation of computational modeling to identify underlying structure-function relationships that are critical to advancing further, predictive catalyst discovery.

Research Topics

catalysis (heterogeneous), methane and light alkanes, defects, materials and chemistry by design, synthesis (novel materials), synthesis (predictive)

Materials Studied

Materials: oxide, porous

Interfaces: organic/inorganic, inorganic/inorganic, gas/solid

Nanostructured Materials: 3D

Experimental and Theoretical Methods

X-ray diffraction and scattering, X-ray spectroscopy, neutron diffraction and scattering, electron microscopy, scanning probe microscopy, surface science, high-throughput screening methods, molecular dynamics (MD), density functional theory (DFT), mesoscale modeling, multiscale modeling, machine learning 

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Partner Institutions

  • Argonne National Laboratory
  • Clemson University
  • Massachusetts Institute of Technology
  • Northwestern University
  • NuMat Technologies
  • Pacific Northwest National Laboratory
  • Stony Brook University
  • University of California, Davis
  • University of Minnesota

BES Staff Contact

Viviane Schwartz, Chris Bradley