Martin P. Head-Gordon Dept of Chemistry theoretical chemistry, electronic structure calculations, development of novel theories and algorithms, quantum mechanics
Burkhard Militzer Dept of Earth and Planetary Science density functional methods, equation of state calculations, planetary interiors, materials at high pressure, theoretical mineral physics, path integration Monte Carlo, planet formation, quantum Monte Carlo method
Jeffrey Neaton Dept of Physics condensed matter theory, materials physics, nanoscience, physical chemistry, Electronic Structure Theory, Transport, Hard-Soft Interfaces, Complex Oxides, renewable energy, energy conversion
William H. Miller Dept of Chemistry theoretical chemistry, chemical dynamics, quantum mechanical and semiclassical theories, dynamical chemical processes at the molecular level, photodissociation, femtosecond pump-probe spectroscopy, calculations of rate constants for chemical reactions