论文标题
利用子空间约束和量子化学的差异方法
Exploiting subspace constraints and ab initio variational methods for quantum chemistry
论文作者
论文摘要
变分方法为利用量子计算机的化学任务提供了一种非常有希望的途径。在这里，我们采用姊妹论文中描述的方法，为本报告，名为“量从量子机的合成量子电路的合成”，以便使用自适应发展的量子电路解决问题。与先前的作者一致，我们发现这种方法可以优于人类设计的电路，例如耦合群集或硬件效率高的Ansätze，并且我们对最多14个量子的更大实例进行了比较。此外，我们引入了一种新的方法来限制物理相关子空间中电路演变的方法，发现这种方法可以极大地改善电路的性能和紧凑性。我们考虑分子系统的静态和动力学特性。所使用的仿真环境是QuestLink；所有资源都是开源的，并从本文链接。
Variational methods offer a highly promising route to exploiting quantum computers for chemistry tasks. Here we employ methods described in a sister paper to the present report, entitled ab initio machine synthesis of quantum circuits, in order to solve problems using adaptively evolving quantum circuits. Consistent with prior authors we find that this approach can outperform human-designed circuits such as the coupled-cluster or hardware-efficient ansätze, and we make comparisons for larger instances up to 14 qubits. Moreover we introduce a novel approach to constraining the circuit evolution in the physically relevant subspace, finding that this greatly improves performance and compactness of the circuits. We consider both static and dynamics properties of molecular systems. The emulation environments used is QuESTlink; all resources are open source and linked from this paper.
