Simulation of open quantum dynamics for various Hamiltonians and spectral densities are ubiquitous for studying various quantum systems. On a quantum computer, only log₂N 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.

用于研究各种哈密顿量和光谱密度的开放量子动力学的模拟对于研究各种量子系统是无处不在的。在量子计算机上，对N维量子系统的仿真只需要对数₂ N个量子位，因此与经典方法相比，在量子计算机中进行仿真可以大大降低计算复杂度。最近，提出了一种量子模拟方法来研究光合光的收获。4，52（2018）]。在本文中，我们应用该方法来模拟各种光合作用系统的开放量子动力学。我们表明，对于德鲁-洛伦兹谱密度，在供体和受体簇内具有强耦合的二聚几何分别显示出显着改善的效率。我们还证明，当供体和受体簇之间的能隙与光谱密度的最佳值匹配时，可以优化整体能量传递。还研究了不同类型的镀液（例如欧姆，亚欧姆和超欧姆光谱密度）的影响。目前的研究表明，所提出的方法对于模拟光合作用系统的精确量子动力学是通用的。