Contextual subspace variational quantum eigensolver calculation of the dissociation curve of molecular nitrogen on a superconducting quantum computer

IF 6.6 1区 物理与天体物理 Q1 PHYSICS, APPLIED
Tim Weaving, Alexis Ralli, Peter J. Love, Sauro Succi, Peter V. Coveney
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引用次数: 0

Abstract

We present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting hardware. Calculating the potential energy curve of molecular nitrogen proves challenging for many conventional quantum chemistry techniques, since static correlation dominates in the dissociation limit. Our quantum simulations retain good agreement with the Full Configuration Interaction energy, outperforming all benchmarked single-reference wavefunction techniques in capturing the bond-breaking appropriately. Moreover, our methodology is competitive with multiconfigurational approaches but at a saving of quantum resource, meaning larger active spaces can be treated for a fixed qubit allowance. To achieve this result, we deploy an error mitigation/suppression strategy comprised of Dynamical Decoupling, Measurement-Error Mitigation and Zero-Noise Extrapolation. Circuit parallelization also provides passive noise-averaging and improves the effective shot yield to reduce the measurement overhead. Furthermore, we introduce a modified adaptive ansatz construction algorithm that incorporates hardware awareness into our variational circuits, minimizing the transpilation cost for the target qubit topology.

Abstract Image

超导量子计算机上分子氮解离曲线的上下文子空间变分量子特征解算
我们在超导硬件上给出了上下文子空间变分量子本征求解器的实验演示。计算分子氮的势能曲线对许多传统的量子化学技术来说是具有挑战性的,因为静态相关在解离极限中占主导地位。我们的量子模拟与全构型相互作用能量保持良好的一致性,在适当地捕获键断裂方面优于所有基准单参考波函数技术。此外,我们的方法与多配置方法相比具有竞争力,但节省了量子资源,这意味着可以将更大的活动空间用于固定的量子位允许。为了实现这一结果,我们部署了一种由动态解耦、测量误差缓解和零噪声外推组成的误差缓解/抑制策略。电路并行化还提供了被动噪声平均,提高了有效射击产量,以减少测量开销。此外,我们引入了一种改进的自适应ansatz构建算法,该算法将硬件感知集成到我们的变分电路中,从而最大限度地降低了目标量子比特拓扑的平移成本。
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来源期刊
npj Quantum Information
npj Quantum Information Computer Science-Computer Science (miscellaneous)
CiteScore
13.70
自引率
3.90%
发文量
130
审稿时长
29 weeks
期刊介绍: The scope of npj Quantum Information spans across all relevant disciplines, fields, approaches and levels and so considers outstanding work ranging from fundamental research to applications and technologies.
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