Project Overview

Mechanistic Investigation of Transition Metal Catalysis with Density Functional Theory

Faculty Sponsor

Jason Keith (




The Keith group uses applied quantum chemistry, specifically density functional theory, to model chemical reactivity. Systems of interest are mostly organometallic/inorganic catalysts. The work involves builing molecular models of all species in a reaction and modeling proposed mechanistic pathways to determine thormodynamically and kinetically favored species. This work is at the intersection of computer science, mathematics, physics and chemistry. 

Student Qualifications

Organic or Inorganic Chemistry, preferably both. Physical chemistry is a plus. Linux background helpful but not neccessary. 

Number of Student Researchers

2 students

Project Length

8-10 weeks

Applications open on 01/03/2021 and close on 03/22/2021

<< Back to List

If you have questions, please contact Karyn Belanger (