The Shee Lab

Welcome!  

The correlated dance of electrons grows all the more marvelous as one descends the periodic table to transition metals and beyond.  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 stochastic approaches (and quantum algorithms when appropriate).  Target applications span the areas of chemical and biological catalysis (especially involving polynuclear transition metal compounds), photocatalytic processes such as triplet-triplet annihilation upconversion, condensed matter physics, and quantum information science.