基于变量量子算法,在杂的量子计算硬件上为两个站点的DMFT模型进行自我一致的计算
Jannis Ehrlich1, Daniel F Urban1,2, Christian Elsässer1,2
1Fraunhofer-Institut für Werkstoffmechanik IWM, Wöhlerstraße 11, Freiburg, Germany.
概括
本研究介绍了一种量子计算方法,使用变量量子自溶解器 (VQE) 来解决双站点动态平均场理论 (DMFT) 模型. 研究人员证明了它的可行性,即使在噪声下,对于精确的电子相关性计算.
科学领域:
- 量子计算是一种量子计算.
- 凝聚物质物理学 凝聚物质物理学
- 计算化学的计算化学
背景情况:
- 动态平均场理论 (DMFT) 对于研究材料中的电子相关性至关重要.
- 解决DMFT模型需要大量的计算资源,限制了实际应用.
- 量子计算提供了一个加速这些复杂计算的潜在途径.
研究的目的:
- 开发和评估一个量子计算方法来解决两个站点的DMFT模型.
- 分析量子硬件噪声对DMFT计算的影响.
- 用量子算法证明使用量子算法获得自相一致的DMFT结果的可行性.
主要方法:
- 在量子计算机上使用变量量子自溶解器 (VQE) 算法实现双站点DMFT模型.
- 在VQE算法中分析随机和设备错误的传播.
- 来自量子模拟 (IBMQ Ehningen) 和经典模拟器的结果的系统比较.
- 开发一种方法来减轻由噪声引起的非物理自能特征.
主要成果:
- 该VQE算法已成功应用于一个两个站点的DMFT模型.
- 发现随机噪声对计算的自我能量有显著影响.
- 提出并验证了一种方法来克服噪音引起的非物理特征.
- 使用量子硬件上的VQE获得了自相一致的DMFT结果,数量有限的镜头.
结论:
- 量子计算,特别是VQE,显示出解决复杂的DMFT模型的希望.
- 错误缓解策略对于可靠的量子DMFT计算至关重要.
- 这项工作证明了在材料科学中使用量子计算机进行电子结构计算的实际可行性.
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