The DOI matches its Crossref record; 8 of the 8 references it cites were found in a registry or an index.
High-Performance Solution of Hierarchical Equations of Motion for Studying Energy Transfer in Light-Harvesting Complexes
Open accessAbstract
Excitonic models of light-harvesting complexes, where the vibrational degrees of freedom are treated as a bath, are commonly used to describe the motion of the electronic excitation through a molecule. Recent experiments point toward the possibility of memory effects in this process and require one to consider time nonlocal propagation techniques. The hierarchical equations of motion (HEOM) were proposed by Ishizaki and Fleming to describe the site-dependent reorganization dynamics of protein environments ( J. Chem. Phys. 2009 , 130 , 234111 ), which plays a significant role in photosynthetic electronic energy transfer. HEOM are often used as a reference for other approximate methods but have been implemented only for small systems due to their adverse computational scaling with the system size. Here, we show that HEOM are also solvable for larger systems, since the underlying algorithm is ideally suited for the usage of graphics processing units (GPU). The tremendous reduction in computational time due to the GPU allows us to perform a systematic study of the energy-transfer efficiency in the Fenna-Matthews-Olson (FMO) light-harvesting complex at physiological temperature under full consideration of memory effects. We find that approximative methods differ qualitatively and quantitatively from the HEOM results and discuss the importance of finite temperature to achieving high energy-transfer efficiencies.
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Citations
Cites
Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems
Engel, G. S., Calhoun, T. R., Read, E. L., Ahn, T.-K., Mančal, T., Cheng, Y.-C., Blankenship, R. E., & Fleming, G. R. (2007) · Nature · doi:10.1038/nature05678 · Cited by 3,315
Coherently wired light-harvesting in photosynthetic marine algae at ambient temperature
Collini, E., Wong, C. Y., Wilk, K. E., Curmi, P. M. G., Brumer, P., & Scholes, G. D. (2010) · Nature · doi:10.1038/nature08811 · Cited by 1,649
Two-dimensional spectroscopy of electronic couplings in photosynthesis
Brixner, T., Stenger, J., Vaswani, H. M., Cho, M., Blankenship, R. E., & Fleming, G. R. (2005) · Nature · doi:10.1038/nature03429 · Cited by 1,241
Long-lived quantum coherence in photosynthetic complexes at physiological temperature
Panitchayangkoon, G., Hayes, D., Fransted, K. A., Caram, J. R., Harel, E., Wen, J., Blankenship, R. E., & Engel, G. S. (2010) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1005484107 · Cited by 1,072
Dephasing-assisted transport: quantum networks and biomolecules
Plenio, M. B., & Huelga, S. F. (2008) · New Journal of Physics · doi:10.1088/1367-2630/10/11/113019 · Cited by 1,002
Theoretical examination of quantum coherence in a photosynthetic system at physiological temperature
Ishizaki, A., & Fleming, G. R. (2009) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.0908989106 · Cited by 891
Charge and Energy Transfer Dynamics in Molecular Systems
May, V., & Kühn, O. (2003) · doi:10.1002/9783527602575 · Cited by 531
Efficient Simulation of Strong System-Environment Interactions
Prior, J., Chin, A. W., Huelga, S. F., & Plenio, M. B. (2010) · Physical Review Letters · doi:10.1103/physrevlett.105.050404 · Cited by 480
Cited by
Vibrations, quanta and biology
Huelga, S. F., & Plenio, M. B. (2013) · Contemporary Physics · doi:10.1080/00405000.2013.829687 · Cited by 568
Machine Learning for Electronically Excited States of Molecules
Westermayr, J., & Marquetand, P. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.0c00749 · Cited by 398
Schröter, M., Ivanov, S. D., Schulze, J., Polyutov, S. P., Yan, Y., Pullerits, T., & Kühn, O. (2015) · Physics Reports · doi:10.1016/j.physrep.2014.12.001 · Cited by 255
Modelling of oscillations in two-dimensional echo-spectra of the Fenna–Matthews–Olson complex
Hein, B., Kreisbeck, C., Kramer, T., & Rodríguez, M. (2012) · New Journal of Physics · doi:10.1088/1367-2630/14/2/023018 · Cited by 120
Self-citationMostame, S., Rebentrost, P., Eisfeld, A., Kerman, A. J., Tsomokos, D. I., & Aspuru-Guzik, A. (2012) · New Journal of Physics · doi:10.1088/1367-2630/14/10/105013 · Cited by 104
Metadata
- Authors
- Kreisbeck, C., Kramer, T., Rodríguez, M., & Hein, B.
- Venue
- Journal of Chemical Theory and Computation
- Publisher
- American Chemical Society (ACS)
- Published
- 2011-06-09
- Volume
- 7
- Issue
- 7
- Pages
- 2166-2174
- ISSN
- 1549-9618 (ISSN-L)
- 1549-9626
- OpenAlex
- W2013398650
- Cited by
- 181
- References
- 8
- FWCI
- 9.38
- Type
- journal article
- Language
- en
- Open access
- green
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- Kreisbeck, C., Kramer, T., Rodríguez, M., & Hein, B. (2011). High-Performance Solution of Hierarchical Equations of Motion for Studying Energy Transfer in Light-Harvesting Complexes. Journal of Chemical Theory and Computation. https://doi.org/10.1021/ct200126d
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