论文标题
使用歧视性变异量子质量器计算IBM量子计算机上分子激发态的计算
Computation of molecular excited states on IBM quantum computers using a discriminative variational quantum eigensolver
论文作者
论文摘要
解决分子激发态仍然是现代量子化学的主要挑战之一。传统方法受到现有计算能力的限制，限制了可以研究的分子的复杂性或可以获得的结果的准确性。已经提出了几种量子计算方法来解决此限制。但是，这些通常具有在短期内无法实现的硬件要求。我们提出了一种基于量子机学习的方法，以确定旨在应对早期噪声中间尺度量子（NISQ）计算机缺陷的分子激发态，并在IBMQ上证明了H2的实现。我们的方法结合了两个参数化的量子电路，并用串联起作用，并结合了变异量子本素层（VQE），以迭代地找到分子汉密尔顿分子的特征态。
Solving for molecular excited states remains one of the key challenges of modern quantum chemistry. Traditional methods are constrained by existing computational capabilities, limiting the complexity of the molecules that can be studied or the accuracy of the results that can be obtained. Several quantum computing methods have been suggested to address this limitation. However, these typically have hardware requirements which may not be achieved in the near term. We propose a variational quantum machine learning based method to determine molecular excited states aiming at being as resilient as possible to the defects of early Noisy Intermediate Scale Quantum (NISQ) computers and demonstrate an implementation for H2 on IBMQ. Our method uses a combination of two parametrized quantum circuits, working in tandem, combined with a Variational Quantum Eigensolver (VQE) to iteratively find the eigenstates of a molecular Hamiltonian.
