I develop and apply new methods for computing rate constants, vibrational and ro-vibrational spectra, and photodisssociation cross sections. The common theme of my research is understanding the motion of atoms. Many of the computational methods we have developed use iterative linear algebra techniques. By exploiting the structure of the basis set and the Hamiltonian operator, they make it possible to compute spectra without storing or computing a Hamiltonian matrix.
Department of Chemistry