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).  We are fascinated by strongly correlated electronic states, and are currently exploring a variety of polynuclear transition metal clusters, f-block compounds, antiaromatic molecules, and more!