Simulation of open quantum dynamics for various Hamiltonians and spectral densities are ubiquitous for studying various quantum systems. On a quantum computer, only log 2 N qubits are required for the simulation of an N -dimensional quantum system, hence simulation in a quantum computer can greatly reduce the computational complexity compared with classical methods. Recently, a quantum simulation approach was proposed for studying photosynthetic light harvesting [ npj Quantum Inf. 4, 52 (2018)]. In this paper, we apply the approach to simulate the open quantum dynamics of various photosynthetic systems. We show that for Drude—Lorentz spectral density, the dimerized geometries with strong couplings within the donor and acceptor clusters respectively exhibit significantly improved efficiency. We also demonstrate that the overall energy transfer can be optimized when the energy gap between the donor and acceptor clusters matches the optimum of the spectral density. The effects of different types of baths, e.g., Ohmic, sub-Ohmic, and super-Ohmic spectral densities are also studied. The present investigations demonstrate that the proposed approach is universal for simulating the exact quantum dynamics of photosynthetic systems.
Simulation of open quantum dynamics for various Hamiltonians and spectral densities are ubiquitous for studying various quantum systems. On a quantum computer, only log 2 N qubits are required for the simulation of an N -dimensional quantum system, hence simulation in a quantum computer can greatly reduce the computational complexity compared with classical methods. Recently, a quantum simulation approach was proposed for studying photosynthetic light harvesting [ npj Quantum Inf. 4, 52 (2018)]. In this paper, we apply the approach to simulate the open quantum dynamics of various photosynthetic systems. We show that for Drude—Lorentz spectral density, the dimerized geometries with strong couplings within the donor and acceptor clusters respectively exhibit significantly improved efficiency. We also demonstrate that the overall energy transfer can be optimized when the energy gap between the donor and acceptor clusters matches the optimum of the spectral density. The effects of different types of baths, e.g., Ohmic, sub-Ohmic, and super-Ohmic spectral densities are also studied. The present investigations demonstrate that the proposed approach is universal for simulating the exact quantum dynamics of photosynthetic systems.
Abstract Near-unity energy transfer efficiency has been widely observed in natural photosynthetic complexes. This phenomenon has attracted broad interest from different fields, such as physics, biology, chemistry, and material science, as it may offer valuable insights into efficient solar-energy harvesting. Recently, quantum coherent effects have been discovered in photosynthetic light harvesting, and their potential role on energy transfer has seen the heated debate. Here, we perform an experimental quantum simulation of photosynthetic energy transfer using nuclear magnetic resonance (NMR). We show that an N-chromophore photosynthetic complex, with arbitrary structure and bath spectral density, can be effectively simulated by a system with log2N qubits. The computational cost of simulating such a system with a theoretical tool, like the hierarchical equation of motion, which is exponential in N, can be potentially reduced to requiring a just polynomial number of qubits N using NMR quantum simulation. The benefits of performing such quantum simulation in NMR are even greater when the spectral density is complex, as in natural photosynthetic complexes. These findings may shed light on quantum coherence in energy transfer and help to provide design principles for efficient artificial light harvesting.
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 simulation represents the most promising quantum application to demonstrate quantum advantage on near-term noisy intermediate-scale quantum (NISQ) computers, yet available quantum simulation algorithms are prone to errors and thus difficult to realize with limited circuit depth on nowadays quantum devices. Herein, we propose a novel scheme to utilize intrinsic gate errors of NISQ devices to enable controllable simulation of open quantum system dynamics without ancillary qubits or explicit bath engineering, thus turning unwanted quantum noises into useful quantum resources. Specifically, we simulate the energy transfer process in a photosynthetic dimer system on IBM-Q cloud. By employing tailored decoherence-inducing gates, we show that quantum dissipative dynamics can be simulated efficiently across coherent-to-incoherent regimes with results comparable to those of the numerically exact classical method. Moreover, we demonstrate a calibration routine that enables consistent and predictive simulations of open-quantum system dynamics in the intermediate coupling regime. This work provides a new direction for quantum advantage in the NISQ era.
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.
We analyse the performance of noisy, gatebased, digital quantum computers in simulating the dynamics of open quantum systems with electronic-vibrational (vibronic) interactions, where simulating large systems with local, vibrational environments remains a fundamental challenge. We simulated a microscopic model of electrontransfer with a single donor and many acceptor sites, as relevant for electrochemical reactions and solar cells. Our approach takes advantage of the intrinsic dissipation in the quantum processor to simulate the nonequilibrium dynamics of the target physical system. Our results reveal a probability of ET that is well aligned with numerically exact calculations where electronic and vibronic resonances can be identified at the expected driving forces. To access various regimes of electron transfer in quantum simulations, we discuss strategies to engineer the lifetime of vibrational motion and lay out the hardware requirements for scaling up simulations on NISQ computers.
It is challenging to simulate open quantum systems that are connected to a reservoir through multiple channels. For example, vibrations may induce fluctuations in both energy gaps and electronic couplings, which represent two independent channels of system-bath couplings. Systems of this kind are ubiquitous in the processes of excited state radiationless decay. Combined with density matrix renormalization group (DMRG) and matrix product states (MPS) methods, we develop an interaction-picture chain mapping strategy for vibrational reservoirs to simulate the dynamics of these open systems, resulting in time-dependent spatially local system-bath couplings in the chain-mapped Hamiltonian. This transformation causes the entanglement generated by the system-bath interactions to be restricted within a narrow frequency window of vibrational modes, enabling efficient DMRG/MPS dynamical simulations. We demonstrate the utility of this approach by simulating singlet fission dynamics using a generalized spin-boson Hamiltonian with both diagonal and off-diagonal system-bath couplings. This approach generalizes an earlier interaction-picture chain mapping scheme, allowing for efficient and exact simulation of systems with multi-channel system-bath couplings using matrix product states, which may further our understanding of nonlocal exciton-phonon couplings in exciton transport and the non-Condon effect in energy and electron transfer.