Keith Lab in Computational Chemistry

We apply and develop computational chemistry methods to understand problems at the interface of basic science and engineering.  We are currently focused on modeling chemical reaction mechanisms and the atomic scale of materials to help develop renewable energy and sustainability technologies.


Recent news

  • AUGUST, 2016: Mitch gets his first first-author paper accepted in J. Phys. Chem. A.  Way to go Mitch!
  • AUGUST, 2016: Karthi gets his first first-author paper accepted in Dalton Transactions.  Way to go Karthi!
  • JUNE, 2016: Karthi becomes a PQI graduate fellow.  Way to go Karthi!
  • JUNE, 2016: Mitch wins a poster prize at the Midwest Theoretical Chemistry Conference.  Way to go Mitch!
  • JUNE, 2016: Karthi gets a travel grant to support his trip to Switzerland for a CECAM workshop "Exploring Chemical Space with Machine Learning and Quantum Mechanics” in Zurich, Switzerland.
  • MARCH, 2016: Mitch talks about his work in the group to the Pittsburgh Quantum Institute.