Professor Laura Gagliardi

CSENG Chemistry
College of Science & Engineering
Twin Cities
Project Title: 
Modeling Catalysis and Gas Separation in Metal Organic Frameworks, Actinide Chemistry, and Photovoltaic Materials

This group investigates chemical systems and materials containing transition metals and even heavier atoms like lanthanides and actinides with quantum chemical methods. Over the years, these researchers have acquired an expertise in developing and applying quantum chemical methods for the study of such systems.

This work is strongly connected with experimental work in the sense that it both inspire possible future experiments and it confirms and/or refines existing experimental results. MSI resources are used for the following chemical- and material-related challenges:

  • Actinide chemistry in condensed phase
  • Catalysis in metal organic frameworks
  • Gas separation in porous materials
  • Discovery of novel materials for photovoltaic applications
  • Development of novel multireference methods

The group employs various software packages available through MSI.

A Research Spotlight about this group's work appeared in October 2016.

Project Investigators

Molly Andersen
Michelle Anderson
Melissa Barona
Sandra Bernales Candia
Rebecca Carlson
Wibe De jong
Hakan Demir
Carlo Alberto Gaggioli
Professor Laura Gagliardi
Soumen Ghosh
Joe Gould
Chad Hoyer
Katherine Kidder
Stefan Knecht
Lorenzo Maschio
Alison Mcmanus
 
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