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Some applications of DFT in surface dynamics

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In the last ten years, I have applied DFT to study several surface dynamics systems, including quantum-state selected surface reactions, surface jump-diffusion and molecular ‘walking’ mechanisms. DFT has often helped to solve problems that the experiments alone could not solve, and, most of the time, not in the way we were expecting.

This talk is part of the Surfaces, Microstructure and Fracture Group series.

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