用浅量子电路实现化学精度:基于克利福德的哈密尔顿工程方法
Jiace Sun1, Lixue Cheng1, Weitang Li2
1Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States.
Journal of chemical theory and computation
|January 3, 2024
概括
我们开发了一个新的量子算法CHEM,以在近期量子计算机上实现精确的化学计算. 该方法使用浅量子电路,减少误差,提高量子化学应用的效率.
科学领域:
- 量子计算化学是一种量子计算化学.
- 量子计算算法 量子计算算法
背景情况:
- 用浅量子电路实现化学精度是近期量子器件面临的主要挑战.
- 现有的方法经常面临电路深度和计算精度之间的权衡.
研究的目的:
- 介绍一个基于Clifford的哈密尔顿工程算法 (CHEM) 来解决电路深度精度权衡.
- 为了在当前的量子硬件上实现实际的量子化学模拟.
主要方法:
- 使用了一个变量量子自溶解器与一个硬件高效的替代品.
- 设计了一个基于克利福德的哈密尔顿变换来优化初始电路参数和能量梯度.
- 确保与任何电路拓的兼容性和最小的经典/量子资源开销.
主要成果:
- 使用量子硬件模拟器,证明了对高达12量子比特的系统的化学准确性.
- 获得的结果少于30个双量子比特门,表明高效率.
- 在实际量子化学场景中验证了CHEM算法的有效性.
结论:
- 基于克利福德的哈密尔顿工程方法为近期设备的量子化学提供了可行的解决方案.
- CHEM有效地平衡了精度和电路深度,为更复杂的分子模拟铺平了道路.
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