The Shee Lab

Welcome!  

The correlated dance of electrons grows all the more marvelous as one descends the periodic table to transition metal, lanthanide, and actinide elements.  However, the standard computational chemistry toolbox is frustratingly limited and often unreliable beyond weakly correlated main group compounds.  We aspire to create powerful new methods grounded in chemical and physical insights to understand and predict such phenomena from first principles, using both classical and quantum computation.  Target applications span the areas of chemical and biological catalysis, photocatalytic processes such as singlet fission and triplet-triplet annihilation upconversion, condensed matter physics, and quantum information science.