Computational Methodologies and Physical Insights into Electronic Energy Transfer in Photosynthetic Light-Harvesting Complexes

TL;DR

This paper reviews computational techniques used to study electronic energy transfer in photosynthetic light-harvesting complexes, highlighting physical insights and potential directions for improving understanding of their high efficiency.

Contribution

It combines molecular modeling with statistical descriptions to identify key features of light-harvesting dynamics applicable across different complexes.

Findings

Identification of general features in energy transfer dynamics

Discussion of advantages and pitfalls of current methodologies

Insights into the physics underlying photosynthetic efficiency

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.