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Computational Studies of Photophysical Phenomena in Molecules and Aggregates

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If you have a question about this talk, please contact Stuart Higgins.

In this talk I will give and overview of my latest works related to the development of electronic structure methods for the computation and characterization of electronic excited states and their application to the study of photophysical processes in molecules and aggregates.

During the presentation, I will shortly introduce some of these methodologies and computational tools, and I will illustrate the application of electronic structure methods to the study of a variety of interesting chemical systems and physical phenomena. In particular, I will highlight computational studies on: (i) multiradicaloid nature of molecular systems, (ii) interchromophore electronic coupling in symmetric dimers, (iii) organic dyes for high-performance sensitized solar cells, (iv) organometallic iridium triplet emitters and their aggregation induced enhanced emission, (v) plasmonic-like resonances in small clusters, and (vi) the singlet exciton fission mechanism.

This talk is part of the Optoelectronics Group series.

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