The DOI matches its Crossref record; 15 of the 15 references it cites were found in a registry or an index.
Open Quantum Dynamics Calculations with the Hierarchy Equations of Motion on Parallel Computers
Open accessAbstract
Calculating the evolution of an open quantum system, i.e., a system in contact with a thermal environment, has presented a theoretical and computational challenge for many years. With the advent of supercomputers containing large amounts of memory and many processors, the computational challenge posed by the previously intractable theoretical models can now be addressed. The hierarchy equations of motion present one such model and offer a powerful method that remained under-utilized so far due to its considerable computational expense. By exploiting concurrent processing on parallel computers the hierarchy equations of motion can be applied to biological-scale systems. Herein we introduce the quantum dynamics software PHI, that solves the hierarchical equations of motion. We describe the integrator employed by PHI and demonstrate PHI's scaling and efficiency running on large parallel computers by applying the software to the calculation of inter-complex excitation transfer between the light harvesting complexes 1 and 2 of purple photosynthetic bacteria, a 50 pigment system.
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Cites
Lessons from nature about solar light harvesting
Scholes, G. D., Fleming, G. R., Olaya-Castro, A., & van Grondelle, R. (2011) · Nature Chemistry · doi:10.1038/nchem.1145 · Cited by 1,915
Environment-assisted quantum walks in photosynthetic energy transfer
Mohseni, M., Rebentrost, P., Lloyd, S., & Aspuru-Guzik, A. (2008) · The Journal of Chemical Physics · doi:10.1063/1.3002335 · Cited by 1,189
Dephasing-assisted transport: quantum networks and biomolecules
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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
Caruso, F., Chin, A. W., Datta, A., Huelga, S. F., & Plenio, M. B. (2009) · The Journal of Chemical Physics · doi:10.1063/1.3223548 · Cited by 655
A variational solution of the time-dependent Schrodinger equation
McLachlan, A. D. (1964) · Molecular Physics · doi:10.1080/00268976400100041 · Cited by 616
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
Ishizaki, A., & Fleming, G. R. (2009) · The Journal of Chemical Physics · doi:10.1063/1.3155214 · Cited by 430
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Understanding the Surface Hopping View of Electronic Transitions and Decoherence
Subotnik, J. E., Jain, A., Landry, B., Petit, A., Ouyang, W., & Bellonzi, N. (2016) · Annual Review of Physical Chemistry · doi:10.1146/annurev-physchem-040215-112245 · Cited by 438
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
Moix, J. M., & Cao, J. (2013) · The Journal of Chemical Physics · doi:10.1063/1.4822043 · Cited by 131
Tomographically reconstructed master equations for any open quantum dynamics
Pollock, F. A., & Modi, K. (2018) · Quantum · doi:10.22331/q-2018-07-11-76 · Cited by 56
Ullah, A., & Dral, P. O. (2022) · Nature Communications · doi:10.1038/s41467-022-29621-w · Cited by 51
Metadata
- Authors
- Strümpfer, J., & Schulten, K.
- Venue
- Journal of Chemical Theory and Computation
- Publisher
- American Chemical Society (ACS)
- Published
- 2012-07-02
- Volume
- 8
- Issue
- 8
- Pages
- 2808-2816
- ISSN
- 1549-9618 (ISSN-L)
- 1549-9626
- OpenAlex
- W2079824144
- Cited by
- 187
- References
- 15
- FWCI
- 6.98
- Type
- journal article
- Language
- en
- Open access
- green
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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