Professor Head-Gordon's group performs research on the development and application of electronic structure theories, to permit the treatment of problems that are currently beyond the reach of standard methods. The electronic structure problem is to calculate the properties of a molecule from first principles quantum mechanics, with the objective of obtaining information on structure and reactivity. Since this information is crucial to understanding and controlling the chemistry of molecules, applications of electronic structure theory play an important and growing role in many areas of chemistry.
- Summer Cluster in Quantum Computation, Summer 2021. Visiting Scientist.