Aspuru-Guzik Research Group

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

For more information about the group, please use the menu options above.