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arXiv 2602.09020quant-ph
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量子计算机中物理应用高效模拟的混合方法

Hybrid Method of Efficient Simulation of Physics Applications for a Quantum Computer

European Organization for Nuclear Research (CERN)(欧洲核子研究组织(CERN));Technical University of Munich(慕尼黑工业大学);Intel Labs, Intel Corporation(英特尔实验室,英特尔公司);The American University in Cairo(开罗美国大学)

Carla Rieger, Albert T. Schmitz, Gehad Salem, Massimiliano Incudini, Sofia Vallecorsa, Anne Y. Matsuura, Michele Grossi, Gian Giacomo Guerreschi

AI总结:

本文提出了一种混合模拟方法,通过优化多量子位旋转的模拟效率,显著提升了量子电路模拟的性能,适用于量子化学和材料科学等领域的高效计算。

摘要:

量子化学和材料科学由于其固有的量子力学性质,是展示算法量子优势和量子效用最具有前景的领域。然而,大规模量子电路的模拟对于确定量子解决方案在何时优于经典方法的问题规模至关重要。在本工作中,我们提出了一种新颖的混合模拟方法,即全状态模拟与克利福德模拟的混合方法,专门设计用于解决与量子化学哈密顿量时间演化相关的计算挑战。我们的方法聚焦于多量子位旋转的高效模拟,这是 Trotter 化哈密顿量演化的关键组成部分。通过利用泡利框架优化多量子位操作的表示和执行,我们的方法显著降低了模拟量子电路的计算成本,从而实现了更高效的模拟。除了对化学应用的影响外,我们的模拟策略对任何依赖大量多量子位旋转的计算任务都有广泛的影响。通过提高量子模拟的效率,我们的方法促进了复杂量子系统的更准确和经济的研究。我们量化了这种模拟策略的性能改进和计算节省,并获得了对于评估的化学哈密顿量(24 个量子位)的加速因子约为 18(使用 MPI 时约为 22)。因此,我们评估了将这种模拟策略整合到 Intel 量子 SDK 中的效果,进一步缩小了理论算法开发与实际量子软件实现之间的差距。

英文摘要:

Quantum chemistry and materials science are among the most promising areas for demonstrating algorithmic quantum advantage and quantum utility due to their inherent quantum mechanical nature. Still, large-scale simulations of quantum circuits are essential for determining the problem size at which quantum solutions outperform classical methods. In this work, we present a novel hybrid simulation approach, forming a hybrid of a fullstate and a Clifford simulator, specifically designed to address the computational challenges associated with the time evolution of quantum chemistry Hamiltonians. Our method focuses on the efficient emulation of multi-qubit rotations, a critical component of Trotterized Hamiltonian evolution. By optimizing the representation and execution of multi-qubit operations leveraging the Pauli frame, our approach significantly reduces the computational cost of simulating quantum circuits, enabling more efficient simulations. Beyond its impact on chemistry applications, our emulation strategy has broad implications for any computational workload that relies heavily on multi-qubit rotations. By increasing the efficiency of quantum simulations, our method facilitates more accurate and cost-effective studies of complex quantum systems. We quantify the performance improvements and computational savings for this emulation strategy, and we obtain a speedup of a factor $\approx 18$ ($\approx 22$ with MPI) for our evaluated chemistry Hamiltonians with 24 qubits. Thus, we evaluate our integration of this emulation strategy into the Intel Quantum SDK, further bridging the gap between theoretical algorithm development and practical quantum software implementations.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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