Department of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.
Data Science & Modelling, Pharmaceutical Science, R&D, AstraZeneca, SE-431 83 Mölndal, Gothenburg, Sweden.
J Chem Theory Comput. 2023 Feb 14;19(3):783-789. doi: 10.1021/acs.jctc.2c00807. Epub 2023 Jan 27.
Decoherence and gate errors severely limit the capabilities of state-of-the-art quantum computers. This work introduces a strategy for reference-state error mitigation (REM) of quantum chemistry that can be straightforwardly implemented on current and near-term devices. REM can be applied alongside existing mitigation procedures, while requiring minimal postprocessing and only one or no additional measurements. The approach is agnostic to the underlying quantum mechanical ansatz and is designed for the variational quantum eigensolver. Up to two orders-of-magnitude improvement in the computational accuracy of ground state energies of small molecules (H, HeH, and LiH) is demonstrated on superconducting quantum hardware. Simulations of noisy circuits with a depth exceeding 1000 two-qubit gates are used to demonstrate the scalability of the method.
退相干和门误差严重限制了最先进的量子计算机的能力。这项工作提出了一种量子化学参考态误差缓解(REM)策略,该策略可以直接应用于当前和近期的设备。REM 可以与现有的缓解程序一起使用,同时只需要最小的后处理,并且只需要一个或不需要额外的测量。该方法与基础量子力学假设无关,是为变分量子本征求解器设计的。在超导量子硬件上,对小分子(H、HeH 和 LiH)的基态能量的计算精度提高了两个数量级。使用深度超过 1000 个双量子门的噪声电路模拟来证明该方法的可扩展性。