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Multiscale approaches to model environmental effects in supramolecular systems

Giovedý 6 aprile 2017 ore 15:00, Edificio Fisica, aula Seminari (III piano), Dipartimento FIM, Modena

Relatore: Stefano Caprasecca (University of Pisa, Dipartimento di Chimica e Chimica Industriale)
Abstract: The optical properties of molecular systems can be remarkably affected by the presence of the environment. This is of particular importance when one aims at modelling processes such as light absorption and emission, and energy and electron transfer, occurring in complex systems.
In such cases it is convenient to resort to multiscale approaches, where computational methods of different complexity are employed in different parts of the system. In particular, we use mixed quantum/classical models, where the classical environment is allowed to polarise in response to the presence of the quantum one. We show some applications to this strategy to treat multichromophoric systems in biological environments.

Ospiti: Stefano Corni and Daniele Varsano

[Ultimo aggiornamento: 06/04/2017 11:56:28]