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represents an area that has not yet been sufficiently explored. To this aim, the present project will employ ab initio calculations to understand the atom-scale phenomena determining the electrode surface
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of single dye molecules or their aggregates using ab-initio methods. This will involve describing the molecule’s vibronic structure and engineering its emission properties, e.g., by controlling the molecule’s
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approaches Develop models to address the dynamics of electrons, excitons, and photons in atomic-scale optical environments (e.g., quantum master equation, Lindblad formalism) Integrate results of ab-initio
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