CAREER: Density Functional Chemistry -- The Ground State and Beyond

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Kieron Burke is supported by a CAREER Grant from the Theoretical and Computational Chemistry Program to develop new methods in excited state density functional theory and in time-dependent density functional theory. His applications include molecules in intense laser fields, linear and nonlinear optical response, and electronic excited states. He will also develop a workstation-based Science Vision Center and a new multidisciplinary course in computational chemistry.Density functional theory comprises one new method in computational chemistry that has proven particularly useful in treating large molecular systems such as surfaces. This work is aimed at improving the accuracy, reducing the computational cost, and extending the domain of applied density functional theory. Additionally, outreach programs to local high schools are under development, along with the establishment of a new graduate program in the Rutgers-Camden chemistry department. State-of-the-art workstations will also be incorporated into the undergraduate science curriculum at this urban campus.