Princeton University has one of the strongest theoretical chemistry groups in the world. The six full-time theoreticians work on a remarkably broad and rich set of research topics, making Princeton an exciting place to study theoretical chemistry. Current topics of interest include materials science, electronic structure theory, ab-initio molecular dynamics, Monte Carlo methods, optimization techniques, statistical mechanics of liquids and disordered systems, surface science, control of molecular motion, quantum theory of chemical reactions, paramagnetic and charge-transfer excitons, and biological systems.

	Roberto Car Chemical physics and materials science; electronic structure theory and ab-initio molecular dynamics; computer modeling and simulation of solids, liquids, disordered systems, and molecular structures; structural phase transitions and chemical reactions. Joint Appointment with Princeton Institute for the Science and Technology of Materials (PRISM)
	Herschel Rabitz Physical chemistry, biomolecular modeling, laser control of molecular processes, molecular collisions, theory of chemical reactions, time- and space-dependent molecular manipulation. Affiliated with the Program in Applied and Computational Mathematics and the Princeton Institute for the Science and Technology of Materials (PRISM)
	Annabella Selloni Computational physics and chemistry and modeling of materials; structural, electronic, and dynamic properties of semiconductor and oxide surfaces; chemisorption and surface reactions.
	Zoltán G. Soos Chemical physics, electronic states of conjugated polymers and ion-radical solids, paramagnetic and charge transfer excitons, one-dimensional models.
	Salvatore Torquato Statistical mechanics and materials science; theory and computer simulation of disordered heterogeneous materials, liquids, amorphous solids, and biological materials; optimization in material science; self-assembly theory; modeling the growth of tumors. Joint Appointment with Princeton Institute for the Science and Technology of Materials (PRISM)
Associated Faculty
	Emily A. Carter Department of Mechanical & Aerospace Engineering & Applied and Computational Mathematics Development of quantum mechanics-based methods to predict behavior of molecules and materials, with applications to combustion chemistry, nanoscale physics, and materials science, with a new emphasis on alternative energy research. Also affiliated with PICSciE, Chemical Engineering, and PRISM
	Frank H. Stillinger Statistical mechanics and quantum theory. Theory of phase transitions, supercooling, and glass formation. Theory and simulation of water and aqueous solutions. Development of the "inherent structure" representation for condensed matter. Mathematical analysis of the electron correlation problem in chemistry and solid-state physics. (not accepting graduate student advisees)

Updated 11/18/08
cmchrist@princeton.edu