William A. Lester, Jr. Dept of Chemistry theoretical and physical chemistry, advances in basic theory, computational methods, study of molecular electronic structure, quantum Monte Carlo method, Born-Oppenheimer approximation
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
Irfan Siddiqi Dept of Physics condensed matter physics, superconducting qubits, quantum limited amplifiers, quantum circuits
Martin P. Head-Gordon Dept of Chemistry theoretical chemistry, electronic structure calculations, development of novel theories and algorithms, quantum mechanics
K. Birgitta Whaley Dept of Chemistry quantum information and quantum computation, control and simulation of complex quantum systems, quantum effects in biological systems, quantum physics, 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
Michael J. Lindsey Dept of Mathematics applied mathematics, mathematical analysis, probability, numerical analysis, optimization, Monte Carlo methods