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  • Laura Gagliardi

    Distinguished McKnight University Professor

    • Chemical Physics, Quantum mechanics
    • Chemical Theory & Computation, Quantum chemistry, molecular dynamics
    • Inorganic & Organometallic Chemistry, Transition metal, lanthanide and actinide chemistry
    • Nanoscience & Materials Chemistry, Actinide and Porous materials
    • Energy & Catalysis
    • M.S. University of Bologna, Italy, 1992
    • Ph.D. University of Bologna, Italy, 1992-1996
    • Post Doctorate University of Cambridge, UK, 1997-1998
    Office: 229 Smith Hall

Principal Research Interests

The Gagliardi group develops novel wave function-based quantum chemical methods and applies them to study problems related to renewable energies. We combine multireference theories with density functional theory. We develop force-fields from first principles to be used in classical simulations. We employ these methods to explore molecular systems and materials relevant to catalysis, carbon dioxide separations, photochemical processes, spectroscopy and heavy-element chemistry.

Figure: A computational model of a Ir(CO)2 catalyst deposited onto the Zr6 nodes of NU-1000 used for ethylene dimerization. 

Laura Gagliardi research image for landing page

Honors and Awards

  • Fellow of the Institute on the Environment (IonE), 2017 -
  • Isaiah Shavitt Lectureship Award, 2017
  • Fellow of the American Physical Society, 2016 -
  • Associate Editor, Journal of Chemical Theory and Computation, 2016 -
  • Fellow of the Royal Society of Chemistry, 2016
  • Bourke Award from the Royal Society of Chemistry, 2016
  • Distinguished McKnight University Professor, 2014
  • Annual Medal of the International Academy of Quantum Molecular Science, 2004
  • Visiting Professor University of Tokyo, 2003
  • Visiting Professor University of Lund, 2001

Mailing Address

  • Laura Gagliardi, University of Minnesota, Department of Chemistry
  • A-10, 139 Smith Hall, 207 Pleasant St SE
  • Minneapolis, MN 55455-0431