Dresden 2011 – scientific programme

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MO: Fachverband Molekülphysik

MO 26: Poster: Biomolecules

MO 26.7: Poster

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

GPU implementation of hierarchical equations for energy transfer in light harvesting complexes — •Christoph Kreisbeck¹, Mirta Rodriguez Pinilla², Birgit Hein¹, and Tobias Kramer¹ — ¹Institute for Theoretical Physics, University of Regensburg, 93040 Regensburg, Germany — ²Instituto de Estructura de la Materia, Madrid, Spain

Recent experiments (Engel et al. Nature 2007, Collini et al. Nature 2010) show evidence for quantum coherences in light harvesting complexes, which prevail up to physiological temperatures. These finding suggest that coherence might enhance efficiency of energy transfer to the reaction center of photosynthese systems. Besides wave like motion, to achieve high efficient energy transfer, coupling to the vibrational environment plays an important role. This coupling is rather large and non-perturbative as well as non-Markovian approaches are required. The most accurate approach is provided by the hierarchical equations (HE) proposed by Ishizaki and Fleming in 2009. The HE require considerable memory and computational efforts. To overcome the numerical limitations we implement the HE on a high performance graphics processing unit (GPU). This allows us to study the transfer efficiency over a wide range of parameter such as reorganization energy or temperature. The efficient GPU implementation yields enormous speedups and the computation times are close to those of Markovian approaches. This facilitates to fit future experiments instead of Markovian theories to the more accurate HE. References see www.quantumdynamics.de