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PGI Kolloquium:

Prof. Dr. Angel Rubio,
MPI Hamburg and FHI Berlin, Germany, and University of the Basque Country, San Sebastián, Spain

PGI Lecture Hall, Building 04.8, 2nd Floor, Room 365

08.05.2015 11:00 Uhr

Modelling non-equlibrium optoelectronic processes within TDDFT: organic photovoltaic applications

In this talk we will review the recent advances within density-functional and many-body based schemes to describe spectroscopic properties of complex systems with special emphasis to modelling time and spatially resolved electron spectroscopies (including transient pump-probe techniques).

RubioPhotos of the simulation of the evolution in the transfer of charge from the polymer to the fullerene in femtoseconds. From: Science 30 May 2014: Vol. 344 no. 6187 pp. 1001-1005 DOI: 10.1126/science.1249771
Copyright: S. Maria Falke, C.A. Rozzi, D. Brida, M. Amato, A. De Sio, A. Rubio, G. Cerullo, E. Molinari, C. Lienau.

Pros and cons of present functionals will be highlighted and provide an insight into how to overcome those limitations by merging concepts from many-body perturbation theory and time-dependent density functional theory. We will discuss some of the theoretical approaches developed in the group (and under development) for the characterisation of matter out of equilibrium, the control material processes at the electronic level and tailor material properties, and master energy and information on the nanoscale to propose new devices with capabilities.

We will focus on examples linked to the efficient conversion of light into electricity or chemical fuels ("artificial photosynthesis") and the design of new nanostructured-based optoelectronic devices based on inorganic nanotubes, among others. The goal of the group activities in the long-run is to provide a detailed, efficient, and at the same time accurate microscopic approach for the ab-initio description and control of the dynamics of decoherence and dissipation in quantum many-body systems. With the help of quantum optimal control (QOC) theory and the mastery over spectroscopy we could direct the movement of electrons, selectively trigger chemical reactions and processes, and create new materials.



Dr. Gustav Bihlmayer
Telefon: +49 2461 61-4677
Fax: +49 2461 61-2850