Efficient quantum simulation of open quantum dynamics at various Hamiltonians and spectral densities

Abstract

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.