We are a theoretical physical chemistry group in the Department of Chemistry and Chemical Biology at Harvard University.
Our research focuses on:
- The connections between quantum computation, quantum information, and chemistry
- Theoretical studies of energy and charge transfer in photosynthetic complexes and renewable energy materials
- Methods development for electronic structure theory: first-principles methods, density functional theory, and quantum Monte Carlo
- Development of the Clean Energy Project, the world’s largest distributed computing project for calculating the properties of candidate molecules for organic solar cells
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