在变量量子自溶器测量中优化镜头分配
Linghua Zhu1, Senwei Liang2, Chao Yang2
1Department of Chemistry, University of Washington, Seattle, Washington 98195, United States.
Journal of chemical theory and computation
|March 14, 2024
概括
我们介绍了变量保留射击减少 (VPSR),这是变量量子自溶解器 (VQE) 的新方法. VPSR显著减少了VQE所需的测量镜头,降低了成本,同时保持了量子化学计算的准确性.
科学领域:
- 量子计算是一种量子计算.
- 量子化学是一种量子化学.
- 计算物理学的计算物理.
背景情况:
- 变量量子自身溶解器 (VQE) 对量子化学具有前景.
- VQE的测量步骤容易出现错误和高成本.
- 目前的镜头分配策略旨在减少测量方差.
研究的目的:
- 为VQE引入一个动态拍摄分配方法.
- 为了最大限度地减少总测量镜头,同时保持测量方差.
- 为了降低VQE计算的总体成本.
主要方法:
- 开发了差异保留射击减少 (VPSR) 方法.
- 实施了一个动态的射击分配策略.
- 在H2和LiH分子基态计算上测试了VPSR.
主要成果:
- VPSR有效地减少了VQE所需的测量镜头的数量.
- 该方法通过显著减少拍摄来实现VQE收.
- 在整个VQE过程中,使用VPSR保持了测量方差.
结论:
- VPSR为VQE提供了一种具有成本效益的方法.
- 这种方法提高了VQE的实用性,用于复杂的量子化学问题.
- VPSR有助于实现计算化学中的量子优势.
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