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
John gave two invited talks at the National ACS meeting in San Diego, CA.

Our first paper of 2016 gets accepted in Int. J. Quant. Chem. We teamed up with the Kitchin group to train ReaxFF and Neural Network atomistic potentials for nanoscale applications involving gold.  

John presented work from the group and met I2CNER researchers at Kyushu University in Feb. 2016. 

John gave an oral presentation at the 2016 Electrochemistry Gordon Research Conference in Ventura CA in Jan. 2016.