Inorganometallic Catalyst Design Center (ICDC)
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 and artificial intelligence to identify underlying structure-function relationships that are critical to advancing further, predictive catalyst discovery.
Research Topics
catalysis (heterogeneous), defects, mesoscale science, synthesis (novel systems)
Systems Studied
Systems: oxide, polymer, porous
Interfaces: organic/inorganic, inorganic/inorganic, gas/solid, liquid/solid
Nanostructured: None
Experimental and Theoretical Methods
X-ray diffraction and scattering, X-ray spectroscopy, neutron diffraction and scattering, neutron spectroscopy, electron microscopy, scanning probe microscopy, surface science, high-throughput screening methods, molecular dynamics (MD), density functional theory (DFT), dynamical mean field theory (DMFT), monte carlo (MC), multiscale modeling, machine learning
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 Chicago
- University of Minnesota
