AI 中文总结
研究针对酉群簇Jastrow电路能量计算难题，提出多项式时间经典算法，不受量子硬件局部性限制，能快速重现相关实验并通过电路优化获得更低基态能量。
AI 中文摘要
近期量子计算机实验挑战了化学中经典计算极限，用于模拟强关联分子基态。许多实验采用酉群簇Jastrow假设，它受酉耦合簇假设启发，可适配当前量子硬件。如《科学进展》中的最大实验在IBM量子计算机上执行了含77个量子比特和10570个门的量子电路，并在Fugaku上用多达6400个节点进行经典后处理以计算基态能量。本文提出多项式时间经典算法计算单层酉群簇Jastrow电路能量，不受量子硬件局部性限制。该算法能在笔记本电脑上不到一分钟重现上述最大实验，且通过快速模拟实现的电路优化得到比实验更低的基态能量。
英文摘要
Recent experiments on quantum computers have challenged the limits of classical computation in chemistry, simulating ground states of strongly correlated molecules. Many of these experiments have utilized the unitary cluster Jastrow ansatz, a quantum circuit inspired by the unitary coupled cluster ansatz that can be tailored to current quantum hardware. Notably, the largest experiment in Sci. Adv. 11, 25 (2025) executed a quantum circuit with 77 qubits and 10,570 gates on an IBM quantum computer and performed classical post-processing with up to 6400 nodes on Fugaku to compute ground state energies better than Hartree-Fock. In this work, we present a polynomial time classical algorithm to compute the energy of any single-layer unitary cluster Jastrow circuit, independent of locality constraints for quantum hardware. Our algorithm can reproduce the largest experiment from Sci. Adv. 11, 25 (2025) in less than a minute on a laptop, and through circuit optimization enabled by fast simulation we achieve a lower ground state energy than the experiment.
Comments10 pages, 5 figures
