Optimization of energy transport in the Fenna-Matthews-Olson complex via site-varying pigment-protein interactions

Oh, Sue Ann; Coker, David F.; Hutchinson, D. A. W.

doi:10.1063/1.5048058

Cited by 15 publications

(20 citation statements)

References 47 publications

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“…In the site-dependent IBH model, the spectral densities of each site would be different. For the bath that is coupled to the a th site ( a = 1, ..., F ), the corresponding spectral density with site-dependent parameters λ ( a ) and ω c false( a false) is given by J false( a false) ( ω ) = 2 λ false( a false) ω c false( a false) ω ω 2 + false( ω c false( a false) false) 2 which determines the mode frequencies and system–bath coupling coefficients, i.e., {ω a , j , c a , j }. The potential energy of the a th state is given by V a ( R̂ ) = ∑ j = 1 N 1 2 ω a , j 2 true( R̂ a , j − c a , j ω a , j 2 true) 2 + ∑ b ≠ a F ∑ …”

Section: Model Hamiltonians Of Fmo Complexmentioning

confidence: 99%

Effects of Heterogeneous Protein Environment on Excitation Energy Transfer Dynamics in the Fenna–Matthews–Olson Complex

Liu

Sun

2022

J. Phys. Chem. B

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The Fenna−Matthews−Olson (FMO) complex of green sulfur bacteria has been serving as a prototypical lightharvesting protein for studying excitation energy transfer (EET) dynamics in photosynthesis. The most widely used Frenkel exciton model for FMO complex assumes that each excited bacteriochlorophyll site couples to an identical and isolated harmonic bath, which does not account for the heterogeneous local protein environment. To better describe the realistic environment, we propose to use the recently developed multistate harmonic (MSH) model, which contains a globally shared bath that couples to the different pigment sites according to the atomistic quantum mechanics/molecular mechanics simulations with explicit protein scaffold and solvent. In this work, the effects of heterogeneous protein environment on EET in FMO complexes from Prosthecochloris aestuarii and Chlorobium tepidum, specifically including realistic spectral density, site-dependent reorganization energies, and system−bath couplings are investigated. Semiclassical and mixed quantum-classical mapping dynamics were applied to obtain the nonadiabatic EET dynamics in several models ranging from the Frenkel exciton model to the MSH model and their variants. The MSH model with realistic spectral density and site-dependent system−bath couplings displays slower EET dynamics than the Frenkel exciton model. Our comparative study shows that larger average reorganization energy, heterogeneity in spectral densities, and low-frequency modes could facilitate energy dissipation, which is insensitive to the static disorder in reorganization energies. The effects of the spectral densities and system−bath couplings along with the MSH model can be used to optimize EET dynamics for artificial light-harvesting systems.

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Section: Model Hamiltonians Of Fmo Complexmentioning

confidence: 99%

Effects of Heterogeneous Protein Environment on Excitation Energy Transfer Dynamics in the Fenna–Matthews–Olson Complex

Liu

Sun

2022

J. Phys. Chem. B

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“…Photosynthetic protein complexes represent one of the best examples of how nature can tune the electronic properties of chromophores, their interactions and relaxation and transport dynamics by embedding such chromophores in a suitably 'engineered' environment, i.e., the protein scaffold. [129][130][131][132][133][134] Inspired by this, several artificial bio-mimetic multi-chromophore systems have been proposed, where the photoactive chromophores were embedded into 'structured environments' by covalent linking or by supramolecular self-assembly techniques. Examples of this approach are: dimers of interacting chromophores mounted on DNA strands, [135][136][137] chromophores covalently attached to polymeric chains, 138 self-assembled aggregates of dye-functionalized short amino acid sequences 47 , porphyrin nanorings, 139 J-aggregates 11 , and H-bonded dimers.…”

Section: Artificial Molecular Nano-systemsmentioning

confidence: 99%

Ultrafast Laser Technologies and Applications

Léonard

Hirlimann

2022

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This Book gathers original tutorials delivered as lectures by the authors at the international Femto-UP 2020 School, which took place online from 8th to 29th of March 2021 and gathered 600 participants worldwide. Like the previous occurrences of the Femto-UP School, the 2020 edition and this Book do target a multidisciplinary public of scientists at various points of their carrier from undergraduate and graduate students to senior researchers and technical staff. The aim is to provide generic scientific knowledge on ultrafast laser technologies including, generation, amplification, manipulation and characterization of ultrashort laser pulses, and pedagogical accounts of a selection of state-of-the-art applications of ultrashort laser pulses. The Femto-UP 2020 School comprised numerical practical sessions using original pedagogical or technical numerical tools (based on the Python programming language) also included to this Book as supplementary electronic material.

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“…In the photosynthetic lightharvesting process, it is responsible for transferring excitonic energy from the antennae complexes to the reaction center with nearly 100% efficiency [23][24][25]. While this is a very well-studied complex [26][27][28][29][30][31][32][33], a more in-depth understanding of this transport process can provide valuable insight for the dynamics of other light harvesting complexes or for the design of artificial photosynthetic systems [34,35].…”

Section: Introductionmentioning

confidence: 99%

A general quantum algorithm for open quantum dynamics demonstrated with the Fenna-Matthews-Olson complex

Head-Marsden

Mazziotti

et al. 2022

Quantum

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Using quantum algorithms to simulate complex physical processes and correlations in quantum matter has been a major direction of quantum computing research, towards the promise of a quantum advantage over classical approaches. In this work we develop a generalized quantum algorithm to simulate any dynamical process represented by either the operator sum representation or the Lindblad master equation. We then demonstrate the quantum algorithm by simulating the dynamics of the Fenna-Matthews-Olson (FMO) complex on the IBM QASM quantum simulator. This work represents a first demonstration of a quantum algorithm for open quantum dynamics with a moderately sophisticated dynamical process involving a realistic biological structure. We discuss the complexity of the quantum algorithm relative to the classical method for the same purpose, presenting a decisive query complexity advantage of the quantum approach based on the unique property of quantum measurement.

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Optimization of energy transport in the Fenna-Matthews-Olson complex via site-varying pigment-protein interactions

Cited by 15 publications

References 47 publications

Effects of Heterogeneous Protein Environment on Excitation Energy Transfer Dynamics in the Fenna–Matthews–Olson Complex

Effects of Heterogeneous Protein Environment on Excitation Energy Transfer Dynamics in the Fenna–Matthews–Olson Complex

Ultrafast Laser Technologies and Applications

A general quantum algorithm for open quantum dynamics demonstrated with the Fenna-Matthews-Olson complex

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