The Lee Group    

& Computational

We are a theoretical and computational chemistry group at Harvard University specializing in the development of numerical methods and quantum algorithms for simulating strongly interacting materials and molecules.

Specific applications where we apply our methods include perovskite materials, electrocatalysis, and moiré materials.

Our group officially started in July 2023 and is actively recruiting members.

Interested graduate student and postdoc candidates are encouraged to reach out to Joonho at