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MO: Fachverband Molekülphysik

MO 26: Poster: Biomolecules

MO 26.6: Poster

Thursday, March 17, 2011, 16:00–18:00, P2

2D spectra of excitonic systems with large reorganisation energy — •Birgit Hein¹, Christoph Kreisbeck¹, Tobias Kramer¹, and Mirta Rodriguez Pinilla² — ¹Institute for Theoretical Physics, University of Regensburg, Germany. — ²Instituto de Estructura de la Materia, Madrid, Spain.

We present the results of a GPU computation of 2D-echo spectra of the Fenna-Matthews- Olson complex, a part of the light harvesting complex of green sulphur bacteria. This complex has a coupling between the exciton and vibrational states and experiments show long-lived quantum beatings which have been observed at 77K (Engel, et al. (2007), Nature, 446, 782) and 294 K (Collini, et al. (2010). Nature, 463 644). This beatings cannot be reproduced with a Markovian approach. In 2009 Ishizaki and Fleming introduced an hierarchical but numerically very demanding algorithm to simulate such systems. We tackle the computationally effort by calculating the 2D-echo spectra on graphic processing units (GPU).