Nonadiabatic Kinetics in the Intermediate Coupling Regime: Comparing Molecular Dynamics to an Energy-Grained Master Equation-Reference-Cited by-同舟云学术

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Nonadiabatic Kinetics in the Intermediate Coupling Regime: Comparing Molecular Dynamics to an Energy-Grained Master Equation

Published:2021-04-21 Issue:16 Volume:125 Page:3473-3488
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Shchepanovska Darya¹^ORCID,Shannon Robin J.¹^ORCID,Curchod Basile F. E.²,Glowacki David R.¹³⁴^ORCID

Affiliation:

1. School of Chemistry, University of Bristol, Bristol BS8 1TS, U.K.

2. Department of Chemistry, Durham University, Durham DH1 3LE, U.K.

3. Intangible Realities Laboratory, University of Bristol, Bristol BS8 1UB, U.K.

4. Department of Computer Science, University of Bristol, Bristol BS8 1UB, U.K.

Funder

Engineering and Physical Sciences Research Council

Royal Society

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c01260

Reference80 articles.

1. Modeling Electronic-Nuclear Interactions for Excitation Energy Transfer Processes in Light-Harvesting Complexes

2. Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model

3. Engineering Coherence Among Excited States in Synthetic Heterodimer Systems

4. Ab Initio Nonadiabatic Dynamics of Multichromophore Complexes: A Scalable Graphical-Processing-Unit-Accelerated Exciton Framework

5. Atomistic Study of the Long-Lived Quantum Coherences in the Fenna-Matthews-Olson Complex

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