@article{ReimersBiczyskoBruceetal.2016, author = {Reimers, Jeffrey R. and Biczysko, Malgorzata and Bruce, Douglas and Coker, David F. and Frankcombe, Terry J. and Hashimoto, Hideki and Hauer, J{\"u}rgen and Jankowiak, Ryszard and Kramer, Tobias and Linnanto, Juha and Mamedov, Fikret and M{\"u}h, Frank and R{\"a}tsep, Margus and Renger, Thomas and Styring, Stenbj{\"o}rn and Wan, Jian and Wang, Zhuan and Wang-Otomo, Zheng-Yu and Weng, Yu-Xiang and Yang, Chunhong and Zhang, Jian-Ping and Freiberg, Arvi and Krausz, Elmars}, title = {Challenges facing an understanding of the nature of low-energy excited states in photosynthesis}, volume = {1857}, journal = {BBA Bioenergetics}, number = {9}, doi = {10.1016/j.bbabio.2016.06.010}, pages = {1627 -- 1640}, year = {2016}, abstract = {While the majority of the photochemical states and pathways related to the biological capture of solar energy are now well understood and provide paradigms for artificial device design, additional low-energy states have been discovered in many systems with obscure origins and significance. However, as low-energy states are naively expected to be critical to function, these observations pose important challenges. A review of known properties of low energy states covering eight photochemical systems, and options for their interpretation, are presented. A concerted experimental and theoretical research strategy is suggested and outlined, this being aimed at providing a fully comprehensive understanding.}, language = {en} } @article{KramerNoackReimersetal.2018, author = {Kramer, Tobias and Noack, Matthias and Reimers, Jeffrey R. and Reinefeld, Alexander and Rodr{\´i}guez, Mirta and Yin, Shiwei}, title = {Energy flow in the Photosystem I supercomplex: comparison of approximative theories with DM-HEOM}, volume = {515}, journal = {Chemical Physics}, publisher = {Elsevier B.V.}, arxiv = {http://arxiv.org/abs/arXiv:1805.10484}, doi = {10.1016/j.chemphys.2018.05.028}, pages = {262 -- 271}, year = {2018}, abstract = {We analyze the exciton dynamics in PhotosystemI from Thermosynechococcus elongatus using the distributed memory implementation of the hierarchical equation of motion (DM-HEOM) for the 96 Chlorophylls in the monomeric unit. The exciton-system parameters are taken from a first principles calculation. A comparison of the exact results with Foerster rates and Markovian approximations allows one to validate the exciton transfer times within the complex and to identify deviations from approximative theories. We show the optical absorption, linear, and circular dichroism spectra obtained with DM-HEOM and compare them to experimental results.}, language = {en} }