化学意识的单元合集群与离子陷量子计算机上的ab initio计算:一个制冷剂化学品的应用
I T Khan1, M Tudorovskaya1, J J M Kirsopp1
1Quantinuum, Terrington House, 13-15 Hills Road, Cambridge CB2 1NL, United Kingdom.
The Journal of chemical physics
|June 2, 2023
概括
量子化学模拟受益于单元合集群替代品的新化学意识策略,减少电路深度. 这种方法提高了对甲光学光谱和大气气体反应的量子计算精度.
科学领域:
- 量子计算是一种量子计算.
- 计算化学计算化学
- 量子模拟的量子模拟
背景情况:
- 电路深度是近期量子计算机上的量子化学模拟的一个关键挑战.
- 需要高效的量子算法来利用量子计算的力量解决化学问题.
研究的目的:
- 为单元合集群 (UCC) 引入一种化学意识的策略,以减少量子电路深度.
- 将这种策略与对称性验证方法相结合,以尽量减少实验噪声.
- 在Quantinuum的System Model H1量子计算机上应用这些方法进行量子化学模拟.
主要方法:
- 为单元合集群状态准备制定化学意识战略.
- 整合了两个对称性验证技术,以减少噪音.
- 在离子陷量子计算机上执行6量子位量子子空间扩张计算.
主要成果:
- 成功计算了甲的光学光谱.
- 模拟大气气体反应,其中涉及[CH3⋅-H-OH]‡.
- 在两个量子比特的门数中实现了90%的改进,并且在6个量子比特时,CH4的电子能量的相对误差为0.2%.
结论:
- 化学意识的UCC策略与对称性验证相结合,显著提高了量子化学模拟的设备产量.
- 这种方法使复杂化学系统的量子计算更加精确和高效.
- 对于相关的化学问题,在6量子比特离子陷量子计算机上展示了实际应用.
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