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Simulation of Nonradiative Energy Transfer in Photosynthetic Systems Using a Quantum Computer

José D. Guimarães, Carlos Tavares, Luís Soares Barbosa, Mikhail I. Vasilevskiy

Published Jan 1, 2020• 5 citations
Publisher

Abstract

Photosynthesis is an important and complex physical process in nature, whose comprehensive understanding would have many relevant industrial applications, for instance in the field of energy production. In this paper we propose a quantum algorithm for the simulation of the excitonic transport of energy, occurring in the first stage of the process of photosynthesis. The algorithm takes in account the quantum and environmental effects (pure-dephasing), influencing the quantum transport. We performed quantum simulations of such phenomena, for a proof of concept scenario, in an actual quantum computer the IBM Q, of 5 qubits. We validate the results with the Haken-Str\"obl model and discuss the influence of environmental parameters on the efficiency of the energy transport.

DOI
10.1155/2020/3510676

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•Sep 30, 2014•0 citations
Photosynthesis is an important and complex physical process in nature, whose comprehensive understanding would have many relevant industrial applications, for instance in the field of energy production. In this paper we propose a quantum algorithm for the simulation of the excitonic transport of energy, occurring in the first stage of the process of photosynthesis. The algorithm takes in account the quantum and environmental effects (pure-dephasing), influencing the quantum transport. We performed quantum simulations of such phenomena, for a proof of concept scenario, in an actual quantum computer the IBM Q, of 5 qubits. We validate the results with the Haken-Str"obl model and discuss the influence of environmental parameters on the efficiency of the energy transport.
Photosynthesis is an important and complex physical process in nature, whose comprehensive understanding would have many relevant industrial applications, for instance, in the field of energy production. In this paper, we propose a quantum algorithm for the simulation of the excitonic transport of energy, occurring in the first stage of the process of photosynthesis. The algorithm takes in account the quantum and environmental effects (pure dephasing), influencing the quantum transport. We performed quantum simulations of such phenomena, for a proof of concept scenario, in an actual quantum computer, IBM Q, of 5 qubits. We validate the results with the Haken-Ströbl model and discuss the influence of environmental parameters on the efficiency of the energy transport.
Many biological phenomena including avian navigation and photosynthesis manifest quantum coherent effects. In avian navigation, the weak geomagnetic field and spin-dependent chemical reactions are utilized for navigation. As one of the most important energy sources on earth, photosynthesis has always been a point of discussion for scientists. The study of energy transmission in photosynthetic systems can support the design or performance optimization of artificial light-harvesting devices. Currently, the quantum coherent effect has been observed in photosynthetic complexes, and the quantum efficiency of energy transmission in photosynthetic complexes is close to 100%. These important findings prompted many experts in different disciplines to use quantum physical methods to explore the physical mechanism behind the energy transmission in photosynthetic systems and the role of the quantum coherent effect in the exciton energy transmission in photosynthetic complexes. It has been proven that energy transfer in pigment-protein complexes is mainly in the form of coherent energy transfer. Moreover, the importance of the quantum coherent effect in energy transmission has been proven. Furthermore, several researchers have used the quantum coherent effect to improve energy transmission in photosynthetic systems and achieved some progress. For open quantum systems, such as photosynthetic systems, many theoretical methods have been proposed to analyze their quantum dynamics. These theoretical methods can be divided into two categories according to whether they can describe the diagonal term of the system density matrix, namely, coherent and incoherent theories. Moreover, the application conditions of these theoretical methods differ according to their established processes. Recently, with the progress in research, several groups have proposed several quantum simulation methods based on different quantum computing systems, including quantum simulation methods based on nuclear magnetic resonance systems, superconducting quantum circuit systems, and ion trap systems, to analyze the phenomena in photosynthetic systems. Compared with the traditional theoretical calculation methods, these quantum simulation methods have higher computational efficiency and lower computational complexity. This paper mainly reviews the progress in research on quantum coherent effects in photosynthesis and the related theoretical calculation and quantum simulation methods.
Open quantum system approaches are widely used in the description of physical, chemical and biological systems. A famous example is electronic excitation transfer in the initial stage of photosynthesis, where harvested energy is transferred with remarkably high efficiency to a reaction center. This transport is affected by the motion of a structured vibrational environment, which makes simulations on a classical computer very demanding. Here we propose an analog quantum simulator of complex open system dynamics with a precisely engineered quantum environment. Our setup is based on superconducting circuits, a well established technology. As an example, we demonstrate that it is feasible to simulate exciton transport in the Fenna–Matthews–Olson photosynthetic complex. Our approach allows for a controllable single-molecule simulation and the investigation of energy transfer pathways as well as non-Markovian noise-correlation effects.
Abstract Quantum effects in photosynthetic energy transport in nature, especially for the typical Fenna-Matthews-Olson (FMO) complexes, are extensively studied in quantum biology. Such energy transport processes can be investigated as open quantum systems that blend the quantum coherence and environmental noise, and have been experimentally simulated on a few quantum devices. However, the existing experiments always lack a solid quantum simulation for the FMO energy transport due to their constraints to map a variety of issues in actual FMO complexes that have rich biological meanings. Here we successfully map the full coupling profile of the seven-site FMO structure by comprehensive characterisation and precise control of the evanescent coupling of the three-dimensional waveguide array. By applying a stochastic dynamical modulation on each waveguide, we introduce the base site energy and the dephasing term in coloured noise to faithfully simulate the power spectral density of the FMO complexes. We show our photonic model well interprets the phenomena including reorganisation energy, vibrational assistance, exciton transfer and energy localisation. We further experimentally demonstrate the existence of an optimal transport efficiency at certain dephasing strength, providing a window to closely investigate environment-assisted quantum transport.
Many living organisms can exploit quantum mechanical effects to gain distinct biological advantages. In plants, photosynthesis uses quantum coherence to achieve near 100% efficiency in energy transfer. With advances in experimental techniques, two-dimensional electronic spectroscopy can reveal dynamic processes such as coherence and coupling within a system, and it plays an important role in studying energy transfer in photosynthesis. On the theory side, methods such as the generalized Bloch-Redfield theory and the hierarchical equations of motion are used to model photosynthetic systems. Quantum simulation, as a high-efficiency and low-complexity approach, has also made progress across various platforms in the study of photosynthesis. In recent years, a series of studies has introduced quantum coherence into artificial systems to enhance energy transfer efficiency, laying the groundwork for the design of coherent devices with efficient energy transport. Birds can use the weak geomagnetic field and spin-dependent chemical reactions to detect direction. Theoretical frameworks for animal navigation include magnetite-based mechanisms, magnetoreceptor genes, and the radical-pair mechanism. Quantum simulations of navigation have also advanced on multiple platforms. Inspired by animal navigation, diverse quantum effects have been applied to improve sensing and to support navigation tasks. This paper presents a comprehensive review of progress on quantum coherence in photosynthesis and avian navigation, along with related theoretical methods, quantum simulation approaches, and research on quantum coherent devices.
For many years, the fields of quantum optics and biology have rarely shared a common path. In quantum optics, most of the concepts and techniques developed over the years stand for systems where only a few degrees of freedom are considered and, more importantly, where the systems under study are assumed to be completely isolated from their surrounding environment. This situation is far from what we can find in nature. Biological complexes are, by definition, warm, wet and noisy systems subjected to environmental fluctuations, where quantum phenomena are unlikely to be observed. Notwithstanding, in recent years, this paradigm has begun to be questioned by several works where quantum-mechanical concepts have been introduced in order to describe the dynamics of important biological processes, such as energy transport in photosynthetic light-harvesting complexes. The goal of this thesis is twofold. Firstly, we will investigate how ideas and techniques routinely used in quantum optics can be exploited in order to develop new quantum-based spectroscopy techniques and, secondly, we will examine to what extent microscopic quantum phenomena could impact on the efficient transport behavior of photosynthetic light-havesting complexes. This problem is particularly relevant, because the understanding of the fundamental mechanisms that enable the highly efficient transport of energy in photosynthetic systems could lead us to the design of future quantum-inspired light-harvesting technologies, such as high-efficiency organic solar cells.