Ghasempouri Seyed Ehsan, Dueck Gerhard W, De Baerdemacker Stijn
Department of Chemistry, University of New Brunswick, 30 Dineen Dr,Fredericton, New Brunswick E3B 5A3, Canada.
Faculty of Computer Science, University of New Brunswick, 550 Windsor Street, Fredericton, New Brunswick E3B 5A3, Canada.
J Phys Chem A. 2023 Oct 5;127(39):8168-8178. doi: 10.1021/acs.jpca.3c03015. Epub 2023 Sep 20.
The variational quantum eigensolver algorithm recently became a popular method to compute the quantum chemical properties of molecules on noisy intermediate scale quantum (NISQ) devices. In order to avoid noise accumulation from the NISQ device in the quantum circuit, it is important to keep the so-called quantum depth of the circuit at a minimum, defined as the minimum number of quantum gates that must be operated sequentially. In the present work, we introduce a modular 2-qubit cluster circuit that allows for the design of a shallow-depth quantum circuit compared to previously proposed architectures without loss of chemical accuracy. Moreover, by virtue of the simplicity of the cluster circuit, it is possible to assign a valence bond chemical interpretation to the cluster circuit. The design was tested on the H, (H), and LiH molecules, as well as the finite-size transverse-field Ising model, as the latter provides additional insights into the construction of the circuit in a resonating valence bond picture.
变分量子本征求解器算法最近成为一种在有噪声的中等规模量子(NISQ)设备上计算分子量子化学性质的流行方法。为了避免量子电路中NISQ设备产生的噪声积累,将电路的所谓量子深度保持在最小值很重要,量子深度定义为必须顺序操作的最小量子门数。在本工作中,我们引入了一种模块化的双量子比特簇电路,与先前提出的架构相比,该电路允许设计浅深度量子电路,且不会损失化学精度。此外,由于簇电路的简单性,可以对簇电路赋予价键化学解释。该设计在H₂、(H₂)⁺和LiH分子以及有限尺寸横向场伊辛模型上进行了测试,因为后者在共振价键图景中为电路结构提供了额外的见解。