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John C. Tully
Director of the Center for Research on Interface Structures and Phenomena [CRISP] a Material Science Research Center.
Board of Trustees, Sheffield Scientific School
Advisory Committee, Camille and Henry Dreyfus Foundation
Chemistry Advisory Panel, Alfred P. Sloan Foundation
Department of Energy, Basic Energy Sciences Council
Theory of atomic motion, energy flow and chemical transformations at surfaces and in the condensed phase; development of advanced computational methods including mixed quantum-classical dynam-ics, path integral dynamics, constrained density functional theory and “molecular dynamics with electronic transitions”.
Nonadiabatic Dynamics via the Classical Limit Schrodinger Equation, J.C. Burant, John C Tully, 2000, J. Chem. Phys., 112, 6097.
Perturbed ground state method for electron transfer, O. V. Prezhdo, J. T. Kindt , John C Tully, 1999, J. Chem. Phys., 111, 7818.
Mixed Quantum-Classical Dynamics, John C Tully, 1998, Faraday Disc. Chem. Soc., 110, 407.
Electron-Hole Pair Contributions to Scattering, Sticking and Surface Diffusion: CO on Cu(100), J.T. Kindt, John C Tully, M. Head-Gordon, M.A. Gomez, 1998, J. Chem. Phys., 109, 3629.