Berlin 2012 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe
CPP: Fachverband Chemische Physik und Polymerphysik
CPP 7: Poster: Biopolymers and Biomaterials (jointly with BP)
CPP 7.7: Poster
Montag, 26. März 2012, 17:30–19:30, Poster A
Environmental effects on the exciton dynamics in the FMO light-harvesting complex — •Mortaza Aghtar1, Carsten Olbrich1, Jörg Liebers1, Johan Strümpfer2, Klaus Schulten2, and Ulrich Kleinekathöfer1 — 1Jacobs University Bremen, Germany — 2University of Illinois at Urbana-Champaign, USA
Long-lived quantum coherent transfer has been
observed experimentally in Fenna-Mathews-Olson (FMO) light-haversting
complex at a temperature of 77 K. The cause for these long-lived
coherence is still unclear. Thermal effects of the environment have been
studied widely as a possible answer not only at low but also at
physiological temperatures. To contribute to this debate, we apply
all-atom classical molecular-dynamics (MD) simulations to obtain thermal
fluctuations of the environment. The MD calculations provide the input
for quantum chemical calculations to obtain the vertical excitation
energies of the single bacteriochlorophyll (BChl) molecules [1]. The
distribution of energies and couplings are analyzed together with
possible spatial correlations. Using excitation energies and couplings,
we have constructed the spectral density and Hamiltonian of the FMO complex
which allows for the investigation of exciton dynamics and environmental
effects [1,2].
[1] C. Olbrich, Th. la Cour Jansen, J. Liebers, M. Aghtar, J. Strümpfer, K. Schulten, J. Knoester, and U. Kleinekathöfer, J. Phys. Chem. B 115, 8609 (2011).
C. Olbrich, J. Strümpfer, K. Schulten, and U. Kleinekathöfer, J. Phys. Chem. Lett. 2, 1771 (2011).