有机自由基之间的三重态介导自旋纠缠:整合第一原理和开放量子系统模拟

IF 8.6 2区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY Npg Asia Materials Pub Date : 2023-12-01 DOI:10.1038/s41427-023-00510-y
Tianhong Huang, Jiawei Chang, Lin Ma, Andrew J. Fisher, Nicholas M. Harrison, Taoyu Zou, Hai Wang, Wei Wu
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引用次数: 0

摘要

光学控制分子自旋量子比特提供了有效降低退相干和提高量子计算机工作温度的潜力。在这里,交换相互作用和自旋动力学,作为介导的光驱动三重态,计算了一个分子,由一对自由基组成,代表一个潜在的量子电路的构建块。与之前实验观察到的三重态诱导的自旋相干性一致,我们的工作证明了分子中光驱动的量子门操作方案。提出了一种将二维分子网络与可编程纳米光子学相结合的技术蓝图。因此,我们实现了对化学数据库的计算探索,以确定分子自旋量子比特和耦合器与纳米光子器件杂交的合适候选者。本文提出的工作是为了实现探索分子激发态和点击化学的新方法,朝着推进分子量子技术的方向发展。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Triplet-mediated spin entanglement between organic radicals: integrating first principles and open-quantum-system simulations

Controlling molecular spin quantum bits optically offers the potential to effectively reduce decoherence and raise the working temperature of quantum computers. Here, exchange interactions and spin dynamics, as mediated by an optically driven triplet state, are calculated for a molecule that consists of a pair of radicals and represents a potential quantum-circuit building block. Consistent with the previous experimental observation of spin coherence induced by the triplet state, our work demonstrates an optically driven quantum gate operation scheme in a molecule. A technological blueprint combining a two-dimensional molecular network and programmable nanophotonics, both of which are sufficiently developed, is proposed. We thus realize computational exploration of chemical databases to identify suitable candidates for molecular spin quantum bits and couplers to be hybridized with nanophotonic devices. The work presented here is proposed to realize a new approach for exploring molecular excited states and click chemistry, toward advancing molecular quantum technology.

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来源期刊
Npg Asia Materials
Npg Asia Materials MATERIALS SCIENCE, MULTIDISCIPLINARY-
CiteScore
15.40
自引率
1.00%
发文量
87
审稿时长
2 months
期刊介绍: NPG Asia Materials is an open access, international journal that publishes peer-reviewed review and primary research articles in the field of materials sciences. The journal has a global outlook and reach, with a base in the Asia-Pacific region to reflect the significant and growing output of materials research from this area. The target audience for NPG Asia Materials is scientists and researchers involved in materials research, covering a wide range of disciplines including physical and chemical sciences, biotechnology, and nanotechnology. The journal particularly welcomes high-quality articles from rapidly advancing areas that bridge the gap between materials science and engineering, as well as the classical disciplines of physics, chemistry, and biology. NPG Asia Materials is abstracted/indexed in Journal Citation Reports/Science Edition Web of Knowledge, Google Scholar, Chemical Abstract Services, Scopus, Ulrichsweb (ProQuest), and Scirus.
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