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Simulation and Design of Molecular Spin Quantum-Dot Cellular Automata

Research Project

Project/Area Number 17K14550
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Device related chemistry
Research InstitutionKogakuin University

Principal Investigator

Tokunaga Ken  工学院大学, 教育推進機構(公私立大学の部局等), 准教授 (30467873)

Project Period (FY) 2017-04-01 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
Budget Amount *help
¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2018: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2017: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Keywordsセルオートマトン / 量子ドット / 混合原子価 / 分子デバイス / フェロセン / 静電ポテンシャル / 論理回路 / スピントロニクス / スピンダイナミクス / オートマトン / スピンエレクトロニクス / 量子化学
Outline of Final Research Achievements

As a new logic circuit to replace the existing logic circuit, we have simulated the operation of quantum-dot cell automaton using biferrocenium diboronic acid complex (two kinds of dimer and ester) by quantum chemical calculation. It was clarified that biferrocenium diboronate ester may theoretically operate as an AND circuit and an OR circuit at room temperature. Furthermore, we proposed a new molecular selecting method using electrostatic potential model.

Academic Significance and Societal Importance of the Research Achievements

既存の電界効果トランジスタ(FET)に基づく論理回路は、その演算速度が近く上限に到達すると言われている。我々は、FETに代わる新たな論理回路として量子ドットセルオートマトンに着目した。ビフェロセニウムジボロン酸エステルを用いた量子ドットセルオートマトンが理論上は常温で論理回路として動作することを明らかにした。さらに、静電ポテンシャルモデルを用いた新たな分子選別手法を提案し、今後の分子選別の効率化を実現した。

Report

(3 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Research-status Report
  • Research Products

    (16 results)

All 2019 2018 2017 Other

All Journal Article (2 results) (of which Peer Reviewed: 2 results,  Open Access: 1 results) Presentation (13 results) (of which Int'l Joint Research: 5 results,  Invited: 4 results) Remarks (1 results)

  • [Journal Article] Lewis Acid Catalysis in Intermolecular [2+2] Photocycloaddition of Coumarin-3-carboxamide Bearing 2-Oxazolidinone Auxiliary with n-Propyl Vinyl Ether and Vinyl Pivalate2018

    • Author(s)
      Itoh, K.; Matsuura, J.; Kamiya, H.; Kudo, R.; Takahashi, Y.; Hashimoto, Y.; Yoza, K.; Tokunaga, K.; Fujii, H.; Suga, H.
    • Journal Title

      Heterocycles

      Volume: 97 Issue: 1 Pages: 591-591

    • DOI

      10.3987/com-18-s(t)44

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Basic Cell Size Dependence of Displacement for a Solvation Motor in a Lennard-Jones Solvent2018

    • Author(s)
      Tokunaga Ken, Akiyama Ryo
    • Journal Title

      Journal of Computer Chemistry, Japan

      Volume: 17 Issue: 1 Pages: 80-84

    • DOI

      10.2477/jccj.2018-0004

    • NAID

      130006555812

    • ISSN
      1347-1767, 1347-3824
    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] 溶媒和構造の変化で駆動する大粒子の分子動力学シミュレーション2019

    • Author(s)
      徳永 健、秋山 良
    • Organizer
      日本物理学会第 74 回年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 溶媒和変化によって駆動される自走粒子の分子シミュレーション2019

    • Author(s)
      徳永 健、秋山 良
    • Organizer
      研究会「凝縮系の理論化学」
    • Related Report
      2018 Annual Research Report
  • [Presentation] 溶媒和変化による自走粒子の分子動力学シミュレーション2019

    • Author(s)
      徳永 健、秋山 良
    • Organizer
      「水和とATPエネルギー」研究会
    • Related Report
      2018 Annual Research Report
  • [Presentation] Displacement of Solvation Motor in Infinite System2018

    • Author(s)
      Ken Tokunaga, Ryo Akiyama
    • Organizer
      12th Mini Symposium on Liquids (MSL 2018)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Motion of Macroparticle driven by Chemical Reaction in a Liquid: Molecular Dynamics Simulation of Solvation Motor2018

    • Author(s)
      Ken Tokunaga, Ryo Akiyama
    • Organizer
      International Congress on Pure & Applied Chemistry (ICPAC) Langkawi 2018
    • Related Report
      2018 Annual Research Report
    • Invited
  • [Presentation] Fabrication of External Charge-Responsive Biferrocenium Toward Half-Cells for Quantum Cellular Automata2018

    • Author(s)
      Keishiro Tahara, Nazuna Terashita, Shiomi Yabumoto, Jun-ichi Kikuchi, Yoshiki Ozawa, Masaaki Abe, Ken Tokunaga
    • Organizer
      43rd International Conference on Coordination Chemistry (ICCC 2018)
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ビフェロセニウム錯体を用いた分子デバイスの動作と静電ポテンシャルモデルによる動作予測に関する理論的研究2018

    • Author(s)
      徳永 健、大舘史弥、田原圭志朗、佐藤光史
    • Organizer
      日本化学会第 98 春季年会
    • Related Report
      2017 Research-status Report
  • [Presentation] キラルクマリン-3-カルボキサミドの位置およびジアステレオ選択的光二量化反応2018

    • Author(s)
      伊藤 謙之介、大舘 史弥、苅込 拓真、宮森 務、神谷; 英明、与座 健治、菅 博幸、藤井 秀明、徳永 健
    • Organizer
      日本化学会第 98 春季年会
    • Related Report
      2017 Research-status Report
  • [Presentation] Molecular Computing by Tetranuclear Mixed-Valence Complexes:A Theoretical Study on Relationship between Molecular Structure and Device Operation of Molecular Quantum-Dot Cellular Automata2018

    • Author(s)
      Ken Tokunaga
    • Organizer
      International Congress on Pure & Applied Chemistry (ICPAC2018)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 混合原子価状態を有するビフェロセニウム錯体を用いた量子ドットセルオートマトンの動作に関する理論的研究2017

    • Author(s)
      大舘史弥、徳永 健、田原圭志朗、佐藤光史
    • Organizer
      分子アーキテクトニクス研究会 第8回研究会
    • Related Report
      2017 Research-status Report
  • [Presentation] System Size Dependence of the Motion of Solvation Motor2017

    • Author(s)
      徳永 健、秋山 良
    • Organizer
      11th Mini-Symposium on Liquids (MSL2017)
    • Related Report
      2017 Research-status Report
  • [Presentation] Simulation of Static and Dynamic Behavior of Molecular Quantum-Dot Cellular Automata made of Fe and Ru Mixed-Valence Complexes2017

    • Author(s)
      Ken Tokunaga
    • Organizer
      253rd American Chemical Society National Meeting & Exposition
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] A Theoretical Study on Quantum-Dot Cellular Automata made of Tetranuclear Mixed-valence Metal Complexes: Relationship between Molecular Structure and Device Operation2017

    • Author(s)
      Ken Tokunaga
    • Organizer
      7th Annual World Congress of Nano Science and Technology-2017 (Nano S&T-2017)
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research / Invited
  • [Remarks]

    • URL

      http://tokunaga-ken.sakura.ne.jp/

    • Related Report
      2017 Research-status Report

URL: 

Published: 2017-04-28   Modified: 2020-03-30  

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