We present an approach based on tensor networks for distributed quantum computing simulation of chemical wavepacket dynamics in a continuous variable representation. The central idea is that the tensor-network representation of the multidimensional time-evolution operator naturally induces an elevated Hilbert space where the dynamics decomposes into a set of independent lower-dimensional propagations. This transformation converts an entangled quantum evolution into a set of parallel computational tasks that can be executed asynchronously across heterogeneous quantum and classical computing architectures. The resulting formalism establishes a direct connection between tensor-network decompositions, uniformly controlled quantum circuits, and asynchronous distributed quantum computing. The approach is developed with a goal towards hybrid quantum/classical implementation, and is appropriate for a general heterogeneous mixture of quantum hardware systems. The experimental realization of the asynchronously distributed quantum processes that arise from the tensor-network decomposition are carried out on the Sandia National Laboratories' trapped-ion quantum computer, where the circuits are compiled using native partial-entangling $XX(θ)$ gates, reducing the expected two-qubit gate infidelity by more than 30\% relative to conventional fully entangling decompositions. We demonstrate the methodology by quantum computing the vibrational spectra of a small protonated water cluster that shows critical quantum nuclear behavior. Such water cluster systems have been found to be challenging for experimental action spectroscopy and for theory, and here, for the first time, we provide results for vibrational spectroscopy that are in agreement with the respective classical results to within 4cm$^{-1}$, thus allowing for the potential for spectroscopic accuracy from quantum computations.
翻译:我们提出了一种基于张量网络的方法,用于连续变量表示下化学波包动力学的分布式量子计算模拟。核心思想是,多维时间演化算符的张量网络表示自然诱导出一个提升的希尔伯特空间,其中动力学分解为一组独立的低维传播。这一变换将纠缠量子演化转化为一组可跨异构量子与经典计算架构异步执行的并行计算任务。由此产生的形式体系建立了张量网络分解、均匀受控量子电路与异步分布式量子计算之间的直接联系。该方法旨在实现混合量子/经典计算,适用于异构量子硬件系统的通用混合场景。实验实现源于张量网络分解的异步分布式量子过程在桑迪亚国家实验室的离子阱量子计算机上进行,其中电路使用原生部分纠缠 $XX(θ)$ 门编译,相比传统全纠缠分解,预期两量子比特门保真度损失降低超过 30%。我们通过量子计算一个小型质子化水团簇的振动光谱来演示该方法,该团簇显示出关键的量子核行为。此类水团簇系统已被发现对实验作用光谱学和理论均具有挑战性;在此,我们首次提供了与相应经典结果偏差在 4cm$^{-1}$ 以内的振动光谱计算结果,从而展现了量子计算实现光谱精度的潜力。