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Molecular Optimization for Nuclear Spin State Control via a Single Electron Spin Qubit by Optimal Microwave Pulses: Quantum Control of Molecular Spin Qubits

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Abstract

Quantum state control is one of the most important concepts in advanced quantum technology, emerging quantum cybernetics and related fields. Molecular open shell entities can be a testing ground for implementing quantum control technology enabling us to manipulate molecular spin quantum bits (molecular spin qubits). In well-designed molecular spins consisting of unpaired electron and nuclear spins, the electrons and nuclear spins can be bus and client qubits, respectively. Full control of molecular spin qubits, in which client spins interact via hyperfine coupling, is a key issue for implementing quantum computers (QCs). In solid-state QCs, there are two approaches to the control of nuclear client qubits, namely, direct control of nuclear spins by radio-wave (RF) pulses and indirect control via hyperfine interactions by microwave pulses applied to electron spin qubits. Although the latter is less popular in the literature, the indirectness has advantage of greatly reducing unnecessary interactions between a qubit system and its environment. In this work, we investigate molecular spin optimization to find optimal experimental conditions which can afford to achieve the high fidelity of quantum gates by the indirect control scheme. In the present quantum systems, one electron is directly controlled by pulsed ESR techniques without manipulating individual hyperfine resonance, but the states of two nuclear client spins are indirectly steered via hyperfine interactions. Single crystals of potassium hydrogen maleate (KHM) radical and 13C-labeled malonyl radical are chosen as typical molecular spin qubits which exemplify the importance of the symmetry of hyperfine tensors and their collinear properties. We have found that both the non-collinearity of the principal axes of hyperfine coupling tensors and the non-distinguishability/non-equivalency between nuclear spins are key issues which extremely reduce the gate fidelity.

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Acknowledgements

This work was supported by AOARD Scientific Project on "Quantum Properties of Molecular Nanomagnets" (Award No. FA2386-13-4029, 13-4030, 13-4031) and the AOARD Project on “Molecular Spins for Quantum Technologies” (Grant No. FA2386-17-1-4040). The support by JSPS Grants-in-Aid for Scientific Research (B) and (C) 26400400 and 26400422 from Ministry of Education, Culture, Sports, Science and Technology (Japan) is acknowledged. The support by JSPS KAKENHI Grant Numbers 17H03012 and 17K05840 is also acknowledged. The work was partially supported by Grants-in-Aid for Scientific Research on Innovative Areas (Quantum Cybernetics) from Ministry of Education, Culture, Sports, Science and Technology (Japan), and also by FIRST Quantum Information Processing Project, Cabinet Office, Government of Japan.

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Authors and Affiliations

  1. Department of Chemistry and Molecular Materials Science, Graduate School of Science, Osaka City University, Osaka, 558-8585, Japan

    Taiki Shibata, Satoru Yamamoto, Shigeaki Nakazawa, Kenji Sugisaki, Koji Maruyama, Kazuo Toyota, Daisuke Shiomi, Kazunobu Sato & Takeji Takui

  2. Department of Physics, University of Guilan, 41335-1914, Rasht, Iran

    Elham Hosseini Lapasar

  3. JST PRESTO, Saitama, 332-0012, Japan

    Kenji Sugisaki

  4. Centre for Quantum Engineering, Research and Education (CQuERE), TCG Centres for Research and Education in Science and Technology (TCG CREST), Kolkata, 700091, India

    Kenji Sugisaki

  5. Research Support/URA Center, University Administration Division, Osaka City University, Osaka, 558-8585, Japan

    Takeji Takui

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  1. Taiki Shibata
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  2. Satoru Yamamoto
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Correspondence to Elham Hosseini Lapasar, Kazunobu Sato or Takeji Takui.

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Shigeaki Nakazawa: Deceased on March 23, 2019.

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Shibata, T., Yamamoto, S., Nakazawa, S. et al. Molecular Optimization for Nuclear Spin State Control via a Single Electron Spin Qubit by Optimal Microwave Pulses: Quantum Control of Molecular Spin Qubits. Appl Magn Reson 53, 777–796 (2022). https://doi.org/10.1007/s00723-021-01392-5

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