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Issue 29, 2012
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Computational methodologies and physical insights into electronic energy transfer in photosynthetic light-harvesting complexes

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Abstract

We examine computational techniques and methodologies currently in use to explore electronic excitation energy transfer in the context of light-harvesting complexes in photosynthetic antenna systems, and comment on some new insights into the underlying physics. Advantages and pitfalls of these methodologies are discussed, as are some physical insights into the photosynthetic dynamics. By combining results from molecular modelling of the complexes (structural description) with an effective non-equilibrium statistical description (time evolution), we identify some general features, regardless of the particular distribution in the protein scaffold, that are central to light-harvesting dynamics and, that could ultimately be related to the high efficiency of the overall process. Based on these general common features, some possible new directions in the field are discussed.

Graphical abstract: Computational methodologies and physical insights into electronic energy transfer in photosynthetic light-harvesting complexes

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Publication details

The article was received on 14 Mar 2012, accepted on 21 May 2012 and first published on 26 Jun 2012


Article type: Perspective
DOI: 10.1039/C2CP40815E
Phys. Chem. Chem. Phys., 2012,14, 10094-10108

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    Computational methodologies and physical insights into electronic energy transfer in photosynthetic light-harvesting complexes

    L. A. Pachón and P. Brumer, Phys. Chem. Chem. Phys., 2012, 14, 10094
    DOI: 10.1039/C2CP40815E

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