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Quantum computing for robust molecular identification by quantum tunneling

Research Project

Project/Area Number 21H01742
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 28010:Nanometer-scale chemistry-related
Research InstitutionKyushu University

Principal Investigator

Tada Tomofumi  九州大学, エネルギー研究教育機構, 教授 (40376512)

Co-Investigator(Kenkyū-buntansha) 谷口 正輝  大阪大学, 産業科学研究所, 教授 (40362628)
Project Period (FY) 2021-04-01 – 2024-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥17,420,000 (Direct Cost: ¥13,400,000、Indirect Cost: ¥4,020,000)
Fiscal Year 2023: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2022: ¥4,940,000 (Direct Cost: ¥3,800,000、Indirect Cost: ¥1,140,000)
Fiscal Year 2021: ¥7,930,000 (Direct Cost: ¥6,100,000、Indirect Cost: ¥1,830,000)
Keywords量子コンピュータ / トンネル伝導 / 単分子 / 分子軌道 / 逆問題 / 単分子伝導 / 分子シーケンサ / 量子輸送 / 分子識別 / 量子アルゴリズム / 分子デバイス
Outline of Research at the Start

本研究の概要は、単分子デバイスである分子シーケンサにより単一分子識別を可能にするナノ計測技術において、その識別時間を高速化するべく、単一分子に流れる多様なトンネル電流を量子コンピュータで高速分離することで分子識別時間を飛躍的に加速することが可能となる新手法を確立するものである。単一分子の伝導性フロンティア軌道理論である量子輸送理論と、分子シーケンサによる単分子計測技術を融合した分子科学に立脚した量子情報科学的基盤研究である。

Outline of Final Research Achievements

This is a fundamental research for single molecule identification proposed by Tada (Principal Investigator) and Taniguchi (Co-Principal Investigator), in which Tada was in charge of quantum circuit design, quantum computing, and compilation of results, and Taniguchi was in charge of molecular conduction measurements. The quantum circuit was designed based on the molecular orbital rule for tunneling conduction, and the quantum phenomenon of tunneling conduction was successfully reproduced on the quantum circuit. Since the information flowing in a quantum circuit corresponds to unitary transformation of qunatum states, we constructed a method that makes it possible to perform the inverse problem of identifying molecules from conduction patterns by quantum computation, by constructing the quantum circuit for tunnling process in the reverse direction.

Academic Significance and Societal Importance of the Research Achievements

新型ウイルスの脅威と闘い続ける宿命をせおった我々によって、単分子レベルで分子識別する技術の構築は大きな希望となる。本研究は、単分子上を流れるトンネル伝導パターンからその分子を特定するという逆問題を量子計算で実行可能となる手法を構築したものである。量子コンピュータ開発はまだ完成の域には達っしていないが、量子コンピュータを利用することの有効性を示すアプリケーションの一つとしても本研究成果には大きい意義がある。

Report

(4 results)
  • 2023 Annual Research Report   Final Research Report ( PDF )
  • 2022 Annual Research Report
  • 2021 Annual Research Report
  • Research Products

    (8 results)

All 2024 2023 2022 2021

All Journal Article (4 results) (of which Peer Reviewed: 3 results,  Open Access: 1 results) Presentation (3 results) (of which Int'l Joint Research: 1 results,  Invited: 2 results) Patent(Industrial Property Rights) (1 results)

  • [Journal Article] Single-Molecule Identification of Nucleotides Using a Quantum Computer2023

    • Author(s)
      Taniguchi Masateru、Ohshiro Takahito、Tada Tomofumi
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 127 Issue: 30 Pages: 6636-6642

    • DOI

      10.1021/acs.jpcb.3c02918

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 分子を流れるトンネル電子が導く未来に想いを馳せる2022

    • Author(s)
      多田朋史
    • Journal Title

      化学と工業

      Volume: 6 Pages: 391-391

    • Related Report
      2022 Annual Research Report
  • [Journal Article] Resource estimations for the Hamiltonian simulation in correlated electron materials2022

    • Author(s)
      Shu Kanno, Suguru Endo, Takeru Utsumi, and Tomofumi Tada
    • Journal Title

      PHYSICAL REVIEW A

      Volume: 106 Issue: 1

    • DOI

      10.1103/physreva.106.012612

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Many-body calculations for periodic materials via restricted Boltzmann machine-based VQE2021

    • Author(s)
      Shu Kanno and Tomofumi Tada
    • Journal Title

      Quantum Science and Technology

      Volume: 6 Issue: 2 Pages: 025015-025015

    • DOI

      10.1088/2058-9565/abe139

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Presentation] 量子デバイス設計のための理論研究と量子アルゴリズム開発2024

    • Author(s)
      多田朋史
    • Organizer
      量子ネイティブ育成研究シンポジウム
    • Related Report
      2023 Annual Research Report
    • Invited
  • [Presentation] Frontiers of Computational Materials Exploration Based on First Principles Calculations2023

    • Author(s)
      Tomofumi Tada
    • Organizer
      Mini-Symposium on Innovative Visualization for Materials Science
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 量子コンピュータを用いた1分子識別法の開発2022

    • Author(s)
      谷口正輝、大城敬人、多田朋史
    • Organizer
      第83回応用物理学会秋季学術講演会
    • Related Report
      2022 Annual Research Report
  • [Patent(Industrial Property Rights)] 量子コンピュータおよびその制御方法、量子もつれ検出装置および量子もつれ検出方法、 並びに分子特定装置および分子特定方法2021

    • Inventor(s)
      谷口正輝、多田朋史
    • Industrial Property Rights Holder
      谷口正輝、多田朋史
    • Industrial Property Rights Type
      特許
    • Industrial Property Number
      2021-565700
    • Filing Date
      2021
    • Acquisition Date
      2023
    • Related Report
      2023 Annual Research Report

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Published: 2021-04-28   Modified: 2025-01-30  

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