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de Graaf, Coen
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ICREA Research Professor at URV (Universitat Rovira i Virgili). Experimental Sciences & Mathematics
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Graduated in Chemistry in 1993 at the university of Amsterdam. PhD student at the University of Groningen, the Netherlands from 1994 to 1998 (supervisors: Prof. Wim Nieuwpoort and Prof. Ria Broer). Post-Doc in the group of Prof. Francesc Illas of the University of Barcelona with a Marie Curie fellowship from 1998-2000 (subject: magnetism in low-dimensional Heisenberg systems). Post-Doc in the Quantum Chemistry group of the University Rovira i Virgili (2000-2005) with a Ramón y Cajal fellowship. Presently ICREA Research Professor in the same group.
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Research Interests
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Changing properties of materials by shining light on it is an interesting phenomenon. It becomes even more exciting when the initial state can be repopulated by irradiation with light of different wave length. The material becomes then switchable and technological applications appear at the horizon. Insight in the mechanisms of light-induced properties may eventually lead to new materials. We apply techniques from computational chemistry to obtain information about the light-induced electronic state and the deactivation to the final state. Secondly, we investigate the effect of the thermal motion of the nuclei on electronic properties of transition metal compounds by combining molecular dynamics simulations with accurate electronic structure calculations.
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KeyWords
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Theoretical Chemistry
Transition metal compounds
Light induced magnetism
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