College of Sciences

Chemistry Department

Computational/Theoretical Chemistry Division

 

Computational chemistry is a branch of theoretical chemistry whose major goals are to create efficient mathematical approximations and computer programs that calculate the properties of molecules (such as total energy, dipole moment, vibrational frequencies) and to apply these programs to concrete chemical problems.

In addition to their individual research interests, our Computational chemistry faculty work with experimentalists to help them understand and predict chemical phenomena in real-world applications. This is a growing area within our department, with rapidly expanding computing capabilities, collaborative, and inter-disciplinary projects available. Faculty in this area include:

Aurora Clark

Kirk Peterson

Student Perspectives

 

"My graduate experience at WSU was outstanding... One of the best aspects of working for Prof. Peterson is that he always encourages group members to work on many different projects and learn as many new techniques as possible.  I think this gives his students a great foundation on which to build and allows us the flexibility in thinking and abilities to allow for our success in science."

--Ben Shepler, PhD '06, Peterson group  

Chemistry Department, PO Box 644630, Washington State University, Pullman WA 99164-4630, 509-335-5585, Contact Us