Martin P. Head-Gordon Dept of Chemistry theoretical chemistry, electronic structure calculations, development of novel theories and algorithms, quantum mechanics
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
Teresa Head-Gordon Dept of Chemistry theoretical chemistry, Computational chemistry, machine learning, chemical physics, biophysics, biomolecules, materials, catalysis, computational science
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
Rui Wang Dept of Chemical & Biomolecular Engineering theoretical polymer, soft materials, electrostatic double layer
Christian Borgs Division of Computer Science (EECS) theoretical computer science, probability theory, combinatorics, complex networks, statistical physics, artificial intelligence, applications of artificial intelligence and machine learning in engineering and sciences
Ahmad Omar Dept of Materials Science and Engineering statistical mechanics, active matter, biophysics, physical chemistry, polymer science, directed self-assembly
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
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
Susan Marqusee Dept of Chemistry Dept of Molecular & Cell Biology amino acids, determinants of protein structure and folding, biophysical, structural and computational techniques, translocation, protein synthesis
Bryan D. McCloskey Dept of Chemical & Biomolecular Engineering electrochemical energy storage, electrocatalysis, molecular and ionic transport through polymers
Alexis T. Bell Dept of Chemical & Biomolecular Engineering chemical engineering, heterogeneous catalysts, spectroscopic techniques, chemical reaction engineering