Ugur Bozkaya research group develops new electronic structure theories, efficiently implements these theories as computer programs (written in C++), and applies developed methods to study interesting chemical problems. We are particularly interested in development of efficient energy and analytic gradients methods for high-level electron correlation methods, such as perturbation theory and coupled-cluster theory.

Our computational studies include noncovalent interactions, atomic and molecular clusters, transition metal compounds, and organic reaction mechanisms.

We are one of the primary developers of the psi4 program package.

See our publication list for more details.