Inorganometallic Catalyst Design Center (ICDC)

ICDC Header


Laura Gagliardi

Lead Institution

University of Minnesota

Year Established



To computationally guide the discovery of a new class of energy-science-relevant catalytic materials and understand the underlying structure-function relationships that will guide further catalyst discovery.

Research Topics

catalysis (heterogeneous), materials and chemistry by design, synthesis (novel materials)

Materials Studied

Materials: metal, oxide, porous

Interfaces: metal/oxide, gas/solid, liquid/solid

Nanostructured Materials: 3D

Experimental and Theoretical Methods

X-ray diffraction and scattering, X-ray spectroscopy, electron microscopy, scanning probe microscopy, surface science, molecular dynamics (MD), density functional theory (DFT), monte carlo (MC), quantum mechanics, classical mechanics, continuum modeling, mesoscale modeling, multiscale modeling, next generation optimization methods, high-throughput screening methods


Partner Institutions

  • Argonne National Laboratory
  • Clemson University
  • Dow Chemical Company
  • Northwestern University
  • Pacific Northwest National Laboratory
  • University of California Davis
  • University of Minnesota
  • University of Washington

BES Staff Contact

Craig Henderson 

Last modified: 3/5/2016 8:03:26 PM