Martin P. Head-Gordon

Advanced the state-of-the-art in electronic structure calculations. Developed excited-state second-order perturbation theory that is widely used for treating large molecules. Made important contributions to time-dependent density functional theory that have influenced the development of new and improved density functionals. Developed the first usable linear-scaling algorithms in quantum chemistry and a series of subsequent developments that are now widely used to enable calculations on systems of hundreds of atoms. Worked on practical contributions and new methods, covering quantum chemistry, novel methods for strongly correlated electrons, and the first algorithm for using a quantum computer to perform quantum chemical calculations.