Computational
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: