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TADA TOMOFUMI  多田 朋史

… Alternative Names

TADA Tomofumi  多田 朋史

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Researcher Number 40376512
Other IDs
  • ORCIDhttps://orcid.org/0000-0003-3093-3779
Affiliation (Current) 2025: 九州大学, エネルギー研究教育機構, 教授
2025: 東京科学大学, 総合研究院, 特任教授
Affiliation (based on the past Project Information) *help 2024: 東京工業大学, 元素戦略MDX研究センター, 特任教授
2019 – 2023: 九州大学, エネルギー研究教育機構, 教授
2019 – 2021: 東京工業大学, 元素戦略研究センター, 特任教授
2014 – 2018: 東京工業大学, 元素戦略研究センター, 准教授
2015: 東京工業大学, 学内共同利用施設等, 准教授 … More
2012: 東京大学, 大学院・工学系研究科, 准教授
2012: 東京大学, 工学(系)研究科(研究院), 准教授
2011: 東京大学, 工学研究科, 特任講師
2010 – 2011: 東京大学, 大学院・工学系研究科, 特任講師
2010: 東京大学, 大学院・工学系研究科, 特任准教授
2007 – 2010: The University of Tokyo, 大学院・工学系研究科, 助教
2008: 東京大学, 大学院・工学系研究科, 教授
2006: 東京大学, 大学院工学系研究科, 助手
2005: 東京大学, 大学院・工学系研究科, 助手 Less
Review Section/Research Field
Principal Investigator
Basic Section 28010:Nanometer-scale chemistry-related / Medium-sized Section 26:Materials engineering and related fields / Science and Engineering / Structural/Functional materials / Science and Engineering / Microdevices/Nanodevices
Except Principal Investigator
Science and Engineering / Science and Engineering / Medium-sized Section 36:Inorganic materials chemistry, energy-related chemistry, and related fields / Transformative Research Areas, Section (II) … More / Basic Section 36010:Inorganic compounds and inorganic materials chemistry-related / Inorganic materials/Physical properties / Mathematical Sciences in Search of New Cooperation / Thin film/Surface and interfacial physical properties Less
Keywords
Principal Investigator
第一原理計算 / 量子輸送 / 動的モンテカルロ / 局所反応場 / 燃料電池 / 分子デバイス / 非平衡グリーン関数法 / 量子アルゴリズム / 分子識別 / 分子シーケンサ … More / 単分子伝導 / 逆問題 / 分子軌道 / 単分子 / トンネル伝導 / 量子コンピュータ / モンテカルロ法 / 非平衡 / 気液固複合相ヘテロ界面 / 気液固複合相 / マルチカノニカル法 / 動的モンテカルロ法 / ニューラルネットワーク / 非平衡シミュレーション / 網羅的素過程探索 / モンテカルロ / マルチカノニカル / 機械学習ポテンシャル / ヘテロ界面 / 励起状態 / 量子情報 / π伝導チャネル / 分子接合 / 分子集積体 / 分子集積 / 量子ダイナミクス / 量子輸送特性 / 単分子コンタクト / 量子ビット / 分子スピン / 動的モンテカルロ計算 / 三相界面 / イオン移動解析 / 反応経路解析 / 燃料酸化反応 / 非平衡グリーン関数 / イオン輸送 / 酸素空孔 / キネティックモンテカルロ / ニッケル電極 / イットリア安定化ジルコニア / 固体酸化物形燃料電池 / 酸化反応 / ナノワイヤ / 非平衡状態 / 分子ワイヤ … More
Except Principal Investigator
物性理論 / 計算物理 / 電気伝導 / 合成 / フッ化物 / フッ化物イオン伝導体 / 分子動力学 / 数理モデル / 第一原理計算 / 渋滞学 / イオニクス / 電極 / 電解質 / イオン伝導性固体 / プロトン伝導体 / 酸化物イオン伝導体 / イオン伝導 / 粒界 / 選択的水素化触媒 / 2次元エレクトライド / トポロジカルエレクトライド / モット絶縁体 / 電子物性 / バンド構造 / 金属間化合物 / 新材料 / 新物質 / 触媒 / 半導体 / 材料設計 / エレクトライド / 電子化物 / π造形科学 / 機能材料 / 超分子化学 / 有機化学 / π電子系科学 / 物性 / 数理工学 / 数値計算 / 電子状態計算 / シミュレーション / 構造保存解法 / 有機エレクトロニクス / 量子ダイナミクス / 計算科学 / 数値解析 / ナノスケール物性 / 密度汎関数法 / ナノ材料 / キャパシタンス / 多探針電気特性計測 / ケルビン力顕微鏡 / 局所トンネル障壁高さ / 走査トンネル分光 / 薄膜・表面界面物性 / ナノ構造 / ナノスケール電気伝導 / 電気特性計算 / 走査プローブ顕微鏡 / 単分子架橋 / 表面・界面物性 / ナノコンタクト Less
  • Research Projects

    (16 results)
  • Research Products

    (191 results)
  • Co-Researchers

    (60 People)
  •  Mathematical and simulation analysis towards establishing ion jamology

    • Principal Investigator
      安藤 康伸
    • Project Period (FY)
      2024 – 2028
    • Research Category
      Grant-in-Aid for Transformative Research Areas (A)
    • Review Section
      Transformative Research Areas, Section (II)
    • Research Institution
      Institute of Science Tokyo
  •  アニオン副格子の回転を利用したフッ化物イオン拡散の理解と制御

    • Principal Investigator
      高見 剛
    • Project Period (FY)
      2024 – 2025
    • Research Category
      Grant-in-Aid for Challenging Research (Exploratory)
    • Review Section
      Medium-sized Section 36:Inorganic materials chemistry, energy-related chemistry, and related fields
    • Research Institution
      Otemon Gakuin University
  •  Quantum computing for robust molecular identification by quantum tunnelingPrincipal Investigator

    • Principal Investigator
      Tada Tomofumi
    • Project Period (FY)
      2021 – 2023
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 28010:Nanometer-scale chemistry-related
    • Research Institution
      Kyushu University
  •  Multi-scale simulation for gas/liquid/solid hetero interfaces from first principles methodPrincipal Investigator

    • Principal Investigator
      Tada Tomofumi
    • Project Period (FY)
      2019 – 2021
    • Research Category
      Grant-in-Aid for Challenging Research (Exploratory)
    • Review Section
      Medium-sized Section 26:Materials engineering and related fields
    • Research Institution
      Kyushu University
  •  Atomic scale structure and mechanism of grain-boundary ionic conduction in solid electrolytes

    • Principal Investigator
      Matsumoto Hiroshige
    • Project Period (FY)
      2019 – 2021
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 36010:Inorganic compounds and inorganic materials chemistry-related
    • Research Institution
      Kyushu University
  •  New evolution of materials concept and application of electrides

    • Principal Investigator
      Hosono Hideo
    • Project Period (FY)
      2017 – 2021
    • Research Category
      Grant-in-Aid for Scientific Research (S)
    • Research Field
      Inorganic materials/Physical properties
    • Research Institution
      Tokyo Institute of Technology
  •  Innovative design of electronics material based on identifying and preserving mathematical structures

    • Principal Investigator
      Matsuo Takayasu
    • Project Period (FY)
      2016 – 2018
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Mathematical Sciences in Search of New Cooperation
    • Research Institution
      The University of Tokyo
  •  pi-HUB: An international research network for promoting the "pi-Figuration" project

    • Principal Investigator
      Fukushima Takanori
    • Project Period (FY)
      2015 – 2019
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Tokyo Institute of Technology
  •  Theoretical study on a robust control of molecular spin state by pi-figurationPrincipal Investigator

    • Principal Investigator
      Tada Tomofumi
    • Project Period (FY)
      2014 – 2018
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      Tokyo Institute of Technology
  •  配列ナノ空間物質の非平衡電子・熱物性理論とデバイスモデリング

    • Principal Investigator
      YAMAMOTO Takahiro
    • Project Period (FY)
      2010 – 2011
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Tokyo University of Science
      The University of Tokyo
  •  Nanoscale Non-Equilibrium Electric Transport Dynamics Based on Density Functional Theory

    • Principal Investigator
      WATANABE Satoshi
    • Project Period (FY)
      2010 – 2014
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
  •  Meso-scale modeling of Solid Oxide Fuel Cells based on non-equilibrium first principles calculationsPrincipal Investigator

    • Principal Investigator
      TADA Tomofumi
    • Project Period (FY)
      2010 – 2012
    • Research Category
      Grant-in-Aid for Young Scientists (B)
    • Research Field
      Structural/Functional materials
    • Research Institution
      The University of Tokyo
  •  室温溶液中ナノリンク分子の電気伝導特性の第一原理計算

    • Principal Investigator
      SATOSHI Watanabe
    • Project Period (FY)
      2008 – 2009
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
  •  Theoretical analyses on nanoscale local electric property measurements using scanning tunneling microscopes

    • Principal Investigator
      SATOSHI Watanabe
    • Project Period (FY)
      2008 – 2010
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Thin film/Surface and interfacial physical properties
    • Research Institution
      The University of Tokyo
  •  第一原理計算を基盤とした非平衡電子状態計算による燃料酸化反応の局所反応場解析Principal Investigator

    • Principal Investigator
      多田 朋史
    • Project Period (FY)
      2007 – 2008
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      The University of Tokyo
  •  化学反応活性化型分子デバイスの設計を目的とした第一原理計算プログラムの開発Principal Investigator

    • Principal Investigator
      多田 朋史
    • Project Period (FY)
      2005 – 2007
    • Research Category
      Grant-in-Aid for Young Scientists (B)
    • Research Field
      Microdevices/Nanodevices
    • Research Institution
      The University of Tokyo

All 2024 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 Other

All Journal Article Presentation Book Patent

  • [Book] Single‐Molecule Electronics ‐ An Introduction to Synthesis, Measurement, and Theory, Ch.7: Orbital rule for electron transport of molecular junctions2016

    • Author(s)
      Tomofumi Tada
    • Total Pages
      24
    • Publisher
      Springer
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Book] Quantum Chemistry-Molecules for Innovations2011

    • Author(s)
      Tomofumi Tada
    • Total Pages
      200
    • Publisher
      InTech
    • Data Source
      KAKENHI-PROJECT-22760534
  • [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

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-23K17862, KAKENHI-PROJECT-22H00281, KAKENHI-PROJECT-23K21064, KAKENHI-PROJECT-21H01742
  • [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

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21H01742
  • [Journal Article] Room-temperature fast H- conduction in oxygen-substituted lanthanum hydride2022

    • Author(s)
      Keiga Fukui, Soshi Iimura, Albert Iskandarov, Tomofumi Tada, and Hideo Hosono
    • Journal Title

      Journal of the American Chemical Society

      Volume: 144 Issue: 4 Pages: 1523-1527

    • DOI

      10.1021/jacs.1c11353

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19K22044, KAKENHI-PROJECT-19J23505
  • [Journal Article] Characteristic mechanism for fast H- conduction in LaH2.5O0.252022

    • Author(s)
      Albert Iskandarov, Tomofumi Tada, Soshi Iimura, Hideo Hosono
    • Journal Title

      Acta Materialia

      Volume: 230 Pages: 117825-117825

    • DOI

      10.1016/j.actamat.2022.117825

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-19K22044
  • [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

    • Data Source
      KAKENHI-PROJECT-21H01742
  • [Journal Article] Electronic Correlation Strength of Inorganic Electrides from First Principles2021

    • Author(s)
      Kanno Shu、Tada Tomofumi、Utsumi Takeru、Nakamura Kazuma、Hosono Hideo
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 12 Issue: 50 Pages: 12020-12025

    • DOI

      10.1021/acs.jpclett.1c03637

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-19K03673, KAKENHI-PROJECT-16H06345, KAKENHI-PROJECT-17H06153
  • [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

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21H01742
  • [Journal Article] Accurate meso-scale dynamics by kinetic Monte Carlo simulation via free energy multicanonical sampling: oxygen vacancy diffusion in BaTiO32021

    • Author(s)
      Hiroya Nakata, Masaaki Araidai, Shandan Bai, Hiromichi Hirano, and Tomofumi Tada
    • Journal Title

      Science and Technology of Advanced Materials: Methods

      Volume: 1 Issue: 1 Pages: 109-122

    • DOI

      10.1080/27660400.2021.1930915

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-19K22044
  • [Journal Article] Vacancy-enabled N2 activation for ammonia synthesis on an Ni-loaded catalyst2020

    • Author(s)
      Ye Tian-Nan、Park Sang-Won、Lu Yangfan、Li Jiang、Sasase Masato、Kitano Masaaki、Tada Tomofumi、Hosono Hideo
    • Journal Title

      Nature

      Volume: 583 Issue: 7816 Pages: 391-395

    • DOI

      10.1038/s41586-020-2464-9

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PUBLICLY-19H05051, KAKENHI-PROJECT-19H02512, KAKENHI-PROJECT-18J00745, KAKENHI-PROJECT-17H06153, KAKENHI-PROJECT-18F18361
  • [Journal Article] Computational Prediction of Boron-Based MAX Phases and MXene Derivatives2020

    • Author(s)
      Miao Nanxi、Wang Junjie、Gong Yutong、Wu Jiazhen、Niu Haiyang、Wang Shiyao、Li Kun、Oganov Artem R.、Tada Tomofumi、Hosono Hideo
    • Journal Title

      Chemistry of Materials

      Volume: 32 Issue: 16 Pages: 6947-6957

    • DOI

      10.1021/acs.chemmater.0c02139

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17H06153
  • [Journal Article] First-Principles and Microkinetic Study on Mechanism for Ammonia Synthesis Using Ru-Loaded Hydride Catalyst2020

    • Author(s)
      T. Nakao, T. Tada and H. Hosono
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 124 Issue: 3 Pages: 2070-2078

    • DOI

      10.1021/acs.jpcc.9b10850

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18J13178, KAKENHI-PROJECT-17H06153
  • [Journal Article] Transition Metal-doped Ru Nanoparticles Loaded on Metal Hydrides for Efficient Ammonia Synthesis from First Principles2019

    • Author(s)
      Nakao Takuya、Tada Tomofumi、Hosono Hideo
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 124 Issue: 2 Pages: 1529-1534

    • DOI

      10.1021/acs.jpcc.9b10544

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-18J13178, KAKENHI-PROJECT-17H06153
  • [Journal Article] Low-Temperature Synthesis of Perovskite Oxynitride-Hydrides as Ammonia Synthesis Catalysts2019

    • Author(s)
      Kitano Masaaki、Kujirai Jun、Ogasawara Kiya、Matsuishi Satoru、Tada Tomofumi、Abe Hitoshi、Niwa Yasuhiro、Hosono Hideo
    • Journal Title

      Journal of the American Chemical Society

      Volume: 141 Issue: 51 Pages: 20344-20353

    • DOI

      10.1021/jacs.9b10726

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PUBLICLY-19H05051, KAKENHI-PROJECT-19H02512, KAKENHI-PROJECT-17H06153
  • [Journal Article] Palladium-bearing intermetallic electride as an?efficient and stable catalyst for Suzuki cross-coupling reactions2019

    • Author(s)
      Ye Tian-Nan、Lu Yangfan、Xiao Zewen、Li Jiang、Nakao Takuya、Abe Hitoshi、Niwa Yasuhiro、Kitano Masaaki、Tada Tomofumi、Hosono Hideo
    • Journal Title

      Nature Communications

      Volume: 10 Issue: 1 Pages: 1-10

    • DOI

      10.1038/s41467-019-13679-0

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18J00745, KAKENHI-PROJECT-18J13178, KAKENHI-PROJECT-17H06153, KAKENHI-PROJECT-18F18361
  • [Journal Article] First-Principles Study of the Adsorption Behavior of Triptycene Molecular Tripods on Au(111): Site-Selectivity and Unambiguous Molecular Orientation2019

    • Author(s)
      T. Tada, F. Ishiwari, Y. Shoji, T. Fukushima
    • Journal Title

      J. Phys. Chem. C

      Volume: 123 Issue: 7 Pages: 4401-4406

    • DOI

      10.1021/acs.jpcc.9b00869

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-26102008, KAKENHI-PLANNED-26102017
  • [Journal Article] Anionic Stannaferrocene and Its Unique Electronic State2019

    • Author(s)
      Saito Masaichi、Matsunaga Naoki、Hamada Jumpei、Furukawa Shunsuke、Tada Tomofumi、Herber Rolfe H.
    • Journal Title

      Chemistry Letters

      Volume: 48 Issue: 2 Pages: 163-165

    • DOI

      10.1246/cl.180880

    • NAID

      130007590723

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-INTERNATIONAL-15K21721, KAKENHI-PLANNED-26102006, KAKENHI-PLANNED-26102017, KAKENHI-PROJECT-18K19067
  • [Journal Article] Triptycene Tripods for the Formation of Highly Uniform and Densely Packed Self-Assembled Monolayers with Controlled Molecular Orientation2019

    • Author(s)
      F. Ishiwari, G. Nascimbeni, E. Sauter, H. Tago, Y. Shoji, S. Fujii, M. Kiguchi, T. Tada, M. Zharnikov, E. Zojer, T. Fukushima
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 141 Issue: 14 Pages: 5995-6005

    • DOI

      10.1021/jacs.9b00950

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-26102013, KAKENHI-PLANNED-26102017, KAKENHI-PROJECT-18H03896, KAKENHI-PROJECT-17K19100, KAKENHI-INTERNATIONAL-15K21721
  • [Journal Article] Wave-packet multi-scale simulations based on a non-linear tight-binding Hamiltonian for carrier transport in π-conjugated polymers2018

    • Author(s)
      Tomofumi Tada
    • Journal Title

      Materials Chemistry Frontiers

      Volume: 印刷中 Issue: 7 Pages: 1351-1359

    • DOI

      10.1039/c7qm00591a

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-26102017, KAKENHI-PROJECT-16KT0016
  • [Journal Article] High Electron Density on Ru in Intermetallic YRu2: The Application to Catalyst for Ammonia Synthesis2018

    • Author(s)
      Ogawa Takaya、Kobayashi Yasukazu、Mizoguchi Hiroshi、Kitano Masaaki、Abe Hitoshi、Tada Tomofumi、Toda Yoshitake、Niwa Yasuhiro、Hosono Hideo
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 122 Issue: 19 Pages: 10468-10475

    • DOI

      10.1021/acs.jpcc.8b02128

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17H06153
  • [Journal Article] Ring shape-dependent self-sorting of pillar[n]arenes assembled on a surface2018

    • Author(s)
      Ogoshi T, Takashima S, Inada N, Asakawa H, Fukuma T, Shoji Y, Kajitani T, Fukushima T, Tada T, Dotera T, Kakuta T, Yamagishi T
    • Journal Title

      Communications Chemistry

      Volume: 1 Issue: 1 Pages: 92-92

    • DOI

      10.1038/s42004-018-0094-z

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K17760, KAKENHI-PLANNED-26102008, KAKENHI-PLANNED-26102017, KAKENHI-PROJECT-16H04037, KAKENHI-PROJECT-16H04130
  • [Journal Article] Ternary intermetallic LaCoSi as a catalyst for N2 activation2018

    • Author(s)
      Gong Yutong、Wu Jiazhen、Kitano Masaaki、Wang Junjie、Ye Tian-Nan、Li Jiang、Kobayashi Yasukazu、Kishida Kazuhisa、Abe Hitoshi、Niwa Yasuhiro、Yang Hongsheng、Tada Tomofumi、Hosono Hideo
    • Journal Title

      Nature Catalysis

      Volume: 1 Issue: 3 Pages: 178-185

    • DOI

      10.1038/s41929-017-0022-0

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04183, KAKENHI-PROJECT-17H06153
  • [Journal Article] “Doping” of Polyyne with an Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire2018

    • Author(s)
      Tanaka Yuya、Kato Yuya、Tada Tomofumi、Fujii Shintaro、Kiguchi Manabu、Akita Munetaka
    • Journal Title

      Journal of the American Chemical Society

      Volume: 140 Issue: 32 Pages: 10080-10084

    • DOI

      10.1021/jacs.8b04484

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18K05139, KAKENHI-PLANNED-26102013, KAKENHI-PLANNED-26102017, KAKENHI-PROJECT-18H03896, KAKENHI-PROJECT-17K19100
  • [Journal Article] Realization of Mott-insulating electrides in dimorphic Yb5Sb32018

    • Author(s)
      Lu Yangfan、Wang Junjie、Li Jiang、Wu Jiazhen、Kanno Shu、Tada Tomofumi、Hosono Hideo
    • Journal Title

      Physical Review B

      Volume: 98 Issue: 12 Pages: 125128-12540

    • DOI

      10.1103/physrevb.98.125128

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17H06153, KAKENHI-PROJECT-18J00745
  • [Journal Article] Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces2017

    • Author(s)
      Shunsuke Furukawa, Yuki Suda, Junji Kobayashi, Takayuki Kawashima, Tomofumi Tada, Shintaro Fujii, Manabu Kiguchi, Masaichi Saito
    • Journal Title

      Journal of the Americal Chemical Society

      Volume: 139 Issue: 16 Pages: 5787-5792

    • DOI

      10.1021/jacs.6b12119

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PUBLICLY-15H00918, KAKENHI-PROJECT-16K13945, KAKENHI-PLANNED-26102006, KAKENHI-PLANNED-26102017
  • [Journal Article] Atomic-scale characterization of the interfacial phonon in graphene/SiC2017

    • Author(s)
      E. Minamitani, R. Arafune, T. Frederiksen, T. Suzuki, S. M. F. Shahed, T. Kobayashi, N. Endo, H. Fukidome, S. Watanabe, T. Komeda,
    • Journal Title

      Phys. Rev. B

      Volume: 96 Issue: 15 Pages: 155431-155431

    • DOI

      10.1103/physrevb.96.155431

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K19047, KAKENHI-PUBLICLY-16H00953, KAKENHI-PUBLICLY-17H05215, KAKENHI-PLANNED-25110005, KAKENHI-PLANNED-26102017, KAKENHI-PROJECT-16H06361, KAKENHI-PROJECT-16H03863
  • [Journal Article] Exploration of Stable Strontium Phosphide-Based Electrides: Theoretical Structure Prediction and Experimental Validation2017

    • Author(s)
      J. Wang, K. Hanzawa, H. Hiramatsu, J. Kim, N. Umezawa, K. Iwanaka, T. Tada, H. Hosono
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 139 Issue: 44 Pages: 15668-15680

    • DOI

      10.1021/jacs.7b06279

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-25106007, KAKENHI-PROJECT-17H01318, KAKENHI-PROJECT-17H06153
  • [Journal Article] A Stable, Soluble, and Crystalline Supramolecular System with a Triplet Ground State2017

    • Author(s)
      Tsukasa Futagoishi, Tomoko Aharen, Tatsuhisa Kato, Azusa Kato, Toshiyuki Ihara, Tomofumi Tada, Michihisa Murata, Atsushi Wakamiya, Hiroshi Kageyama, Yoshihiko Kanemitsu, and Yasujiro Murata
    • Journal Title

      Angew. Chem. Int. Ed.

      Volume: in press Issue: 15 Pages: 4261-4265

    • DOI

      10.1002/anie.201701212

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-16H02267, KAKENHI-PROJECT-14J04983, KAKENHI-PROJECT-16K13626, KAKENHI-PROJECT-16K05655, KAKENHI-PLANNED-26102017, KAKENHI-PROJECT-15K13641
  • [Journal Article] Copper-Based Intermetallic Electride Catalyst for Chemoselective Hydrogenation Reactions2017

    • Author(s)
      Ye Tian-Nan、Lu Yangfan、Li Jiang、Nakao Takuya、Yang Hongsheng、Tada Tomofumi、Kitano Masaaki、Hosono Hideo
    • Journal Title

      Journal of the American Chemical Society

      Volume: 139 Issue: 47 Pages: 17089-17097

    • DOI

      10.1021/jacs.7b08252

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04183, KAKENHI-PROJECT-17H06153
  • [Journal Article] Organometallic Molecular Wires as Versatile Modules for Energy-Level Alignment of the Metal-Molecule-Metal Junction2016

    • Author(s)
      K. Sugimoto, Y. Tanaka, S. Fujii, T. Tada, M. Kiguchi, M. Akita
    • Journal Title

      Chemical Communications

      Volume: 52 Issue: 34 Pages: 5796-5799

    • DOI

      10.1039/c6cc01705c

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PROJECT-26810031, KAKENHI-PLANNED-26102013, KAKENHI-PLANNED-26102017
  • [Journal Article] Resolving metal-molecule interfaces at single-molecule junctions2016

    • Author(s)
      Y. Komoto, S. Fujii, H. Nakamura, T. Tada, T. Nishino, M. Kiguchi
    • Journal Title

      Sci. Rep.

      Volume: 6 Issue: 1 Pages: 26606-26606

    • DOI

      10.1038/srep26606

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PLANNED-26102013, KAKENHI-PROJECT-15J11830, KAKENHI-PROJECT-26288070, KAKENHI-PROJECT-16K13975, KAKENHI-PROJECT-16K14018, KAKENHI-PLANNED-26102017
  • [Journal Article] Molecular design of electron transport with orbital rule: toward conductance-decay free molecular junctions2015

    • Author(s)
      T. Tada and K. Yoshizawa
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 17 Issue: 48 Pages: 32099-32110

    • DOI

      10.1039/c5cp05423k

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PLANNED-24109014, KAKENHI-PLANNED-26102017
  • [Journal Article] Rectifying electron-transport properties through stacks of aromatic molecules inserted into a self-assembled cage2015

    • Author(s)
      S. Fujii, T. Tada, Y. Komoto, T. Osuga, T. Murase, M. Fujita, M. Kiguchi
    • Journal Title

      J. Am. Chem. Soc.

      Volume: 137 Issue: 18 Pages: 5939-5947

    • DOI

      10.1021/jacs.5b00086

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-26102013, KAKENHI-PROJECT-24245027, KAKENHI-PROJECT-15J11830, KAKENHI-PROJECT-25790002, KAKENHI-PROJECT-25708008, KAKENHI-PLANNED-26102017
  • [Journal Article] “Conduction paths in Cu/amorphous-Ta2O5/Pt atomic switch: First-principles studies”2014

    • Author(s)
      Bo Xiao, Tingkun Gu, Tomofumi Tada, and Satoshi Watanabe
    • Journal Title

      J. Appl. Phys.

      Volume: 115 Issue: 3 Pages: 0345031-7

    • DOI

      10.1063/1.4861724

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Journal Article] “Anomalous metallic-like transport of Co-Pd ferromagnetic nanoparticles cross-linked with π-conjugated molecules having a rotational degree of freedom”2014

    • Author(s)
      Yoshikazu Ito, Kazuyuki Takai, Akira Miyazaki, Vajiravelu Sivamurugan, Manabu Kiguchi, Yoshihiro Ogawa, Naotake Nakamura, Suresh Valiyaveettil, Tomofumi Tada, Satoshi Watanabe and Toshiaki Enoki
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 16 Issue: 1 Pages: 288-296

    • DOI

      10.1039/c3cp53689k

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104007, KAKENHI-PROJECT-25410088, KAKENHI-PLANNED-26102013
  • [Journal Article] Non-equilibrium thermal transport simulation of conical carbon nanofibers2013

    • Author(s)
      Derek Ashley Thomas, Takahiro Yamamoto, Tomofumi Tada, and Satoshi Watanabe
    • Journal Title

      Transactions of the Materials Research Society of Japan

      Volume: 38 Issue: 2 Pages: 183-186

    • DOI

      10.14723/tmrsj.38.183

    • NAID

      130005004209

    • ISSN
      1382-3469, 2188-1650
    • Language
      English
    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Journal Article] Inelastic transient electrical currents and phonon heating in a single-level quantum dot system2013

    • Author(s)
      W. Liu, K. Sasaoka, T. Yamamoto, T. Tada, and S. Watanabe
    • Journal Title

      Journal of Applies Physics

      Volume: 113 Issue: 12 Pages: 1237011-9

    • DOI

      10.1063/1.4796137

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Journal Article] “Design principle for increasing charge mobility of pi-conjugated polymers using regularly localized molecular orbitals”2013

    • Author(s)
      Jun Terao, Akihisa Wadahama, Akitoshi Matono, Tomofumi Tada, Satoshi Watanabe, Shu Seki, Tetsuaki Fujihara, Yasushi Tsuji
    • Journal Title

      Nat. Commun.

      Volume: 4 Issue: 1 Pages: 16911-9

    • DOI

      10.1038/ncomms2707

    • Peer Reviewed / Acknowledgement Compliant / Open Access
    • Data Source
      KAKENHI-PLANNED-22104007, KAKENHI-PROJECT-24655139
  • [Journal Article] “First-principles study of spin-dependent transport through graphene/BNC/graphene structure”2013

    • Author(s)
      Tadashi Ota and Tomoya Ono
    • Journal Title

      Nanoscale Res. Lett.

      Volume: 8 Issue: 1 Pages: 1991-5

    • DOI

      10.1186/1556-276x-8-199

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Journal Article] Highly Conductive [3×n] Gold-Ion Clusters Enclosed within Self-Assembled Cages2013

    • Author(s)
      Kiguchi, M ; Inatomi, J ; Takahashi, Y ; Tanaka, R ; Osuga, T ; Murase, T ; Fujita, M ; Tada, T ; Watanabe S.
    • Journal Title

      Angewandte Chemie International Edition

      Volume: 52 Issue: 24 Pages: 6202-6205

    • DOI

      10.1002/anie.201301665

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-12J08348, KAKENHI-PLANNED-22104007, KAKENHI-PROJECT-23750057, KAKENHI-PROJECT-24245027, KAKENHI-PUBLICLY-25104710, KAKENHI-PROJECT-25620055, KAKENHI-PROJECT-25708008
  • [Journal Article] Single Molecule Conductance of Pi-Conjugated Rotaxane: New Method for Measuring Stipulated Electric Conductance of Pi-Conjugated Molecular Wire Using STM Break Junction2012

    • Author(s)
      M. Kiguchi, S. Nakashima, T. Tada, S. Watanabe, S. Tsuda, Y. Tsuji, and J. Terao
    • Journal Title

      Small

      Volume: 8 Issue: 5 Pages: 726-730

    • DOI

      10.1002/smll.201102075

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Journal Article] 〓ets model analysis of space charge layer formation at metal/ionic conduct〓2012

    • Author(s)
      〓 Kasamatsu, Tomofumi Tada, Satoshi 〓
    • Journal Title

      Solid State Ionics

      Volume: 62 Pages: 62-70

    • DOI

      10.1016/j.ssi.2012.08.009

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-10J10039, KAKENHI-PLANNED-22104007
  • [Journal Article]2012

    • Author(s)
      S. Kasamatsu, T. Tada, and S. Watanabe
    • Journal Title

      Solid State Ionics

      Volume: 226 Pages: 62-70

    • URL

      http://dx.doi.org/10.1016/j.ssi.2012.08.009

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Journal Article] Elastic Transient Energy Transport and Energy Balance in a Single-Level Quantum Dot System2012

    • Author(s)
      W. Liu, K. Sasaoka, T. Yamamoto, T. Tada, and S. Watanabe
    • Journal Title

      Japanease Journal of Applied Physics

      Volume: 51 Issue: 9R Pages: 0943031-6

    • DOI

      10.1143/jjap.51.094303

    • NAID

      40019424976

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-24681021, KAKENHI-PLANNED-22104007
  • [Journal Article] ナノスケール電気伝導ダイナミクスのシミュレーション2011

    • Author(s)
      渡邉聡, 多田朋史, 山本貴博
    • Journal Title

      ナノ学会会報

      Volume: 9 Pages: 59-64

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20360016
  • [Journal Article] Electron Transport through Single Molecules Comprising Aromatic Stacks Enclosed in Self-Assembled Cages2011

    • Author(s)
      Manabu Kiguchi, Takuya Takahashi, Yuta Takahashi, Yoshihiro Yamauchi, Takashi Murase, Makoto Fujita, Tomofumi Tada, Satoshi Watanabe
    • Journal Title

      Angew.Chem.Int.Ed.

      Volume: 50巻 Pages: 5708-5711

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Journal Article] Theoretical analysis of space charge layer formation at metal/ionic conductor interfaces2011

    • Author(s)
      Shusuke Kasamatsu, Tomofumi Tada, Satoshi Watanabe
    • Journal Title

      Solid State Ionics

      Volume: 183巻 Pages: 20-25

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Journal Article] ナノスケール電気伝導ダイナミクスのシミュレーション2011

    • Author(s)
      渡邉聡, 多田朋史, 山本貴博
    • Journal Title

      ナノ学会会報

      Volume: 9 Pages: 59-64

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Journal Article] Molecular Orbital Concept on Spin-Flip Transport in Molecular Junctions2011

    • Author(s)
      T. Tada, T. Yamamoto, and S. Watanabe
    • Journal Title

      Theoretical Chemistry Accounts

      Volume: 130 Issue: 4-6 Pages: 775-788

    • DOI

      10.1007/s00214-011-1028-3

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Journal Article] Theoretical analysis of space charge layer formation at metal/ionic conductor interfaces2011

    • Author(s)
      S.Kasamatsu, T.Tada, S.Watanabe
    • Journal Title

      Solid State Ionics

      Volume: 183 Pages: 20-25

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20360016
  • [Journal Article] Electron Transport through Single Molecules Comprising Aromatic Stacks Enclosed in Self-Assembled Cages2011

    • Author(s)
      M.Kiguchi, T.Takahashi, Y.Takahashi, Y.Yamauchi, T.Murase, M.Fujita, T.Tada, S.Watanabe
    • Journal Title

      Angew.Chem.Int.Ed.

      Volume: 50 Issue: 25 Pages: 5708-5711

    • DOI

      10.1002/anie.201100431

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-22013004, KAKENHI-PLANNED-22104007, KAKENHI-PROJECT-23750057
  • [Journal Article] Theoretical analysis of space charge layer formation at metal/ionic conductor interfaces2011

    • Author(s)
      S.Kasamatsu, T.Tada, S.Watanabe
    • Journal Title

      Solid State Ionics

      Volume: 183 Pages: 20-25

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Journal Article] Conductive Path Formation in the Ta_2O_5 Atomic Switch : First-Principles Analyses2010

    • Author(s)
      Tingkun Gu, Tomofumi Tada, Satoshi Watanabe
    • Journal Title

      ACS Nano

      Volume: 4巻 Pages: 6477-6482

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Journal Article] First Principles study of Oxygen Vacancies Near Nickel/Zirconia Interface2010

    • Author(s)
      Shusuke Kasamatsu, Tomofumi Tada, Satoshi Watanabe
    • Journal Title

      e-Jounral of Surface Science and Nanotechnology

      Volume: 8巻 Pages: 93-100

    • NAID

      130004439214

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Journal Article] Effects of Resonant Scattering by Probe Contacts on Nanoscale Four-Probe Resistance Measurements2010

    • Author(s)
      A.Terasawa, K Tobimatsu, T.Tada, T.Yamamoto, S.Watanabe
    • Journal Title

      New Journal of Physics

      Volume: 12

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Journal Article] ナノスケールの4端子抵抗測定における量子干渉効果の理論研究2010

    • Author(s)
      寺澤麻子, 飛松啓司, 多田朋史, 山本貴博, 渡邉聡
    • Journal Title

      表面科学

      Volume: 31 Pages: 374-379

    • NAID

      10026545966

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Journal Article] Effects of Resonant Scattering by Probe Contacts on Nanoscale Four-Probe Resistance Measurements2010

    • Author(s)
      Asako Terasawa, Keiji Tobimatsu, Tomofumi Tada, Takahiro Yamamoto, Satoshi Watanabe
    • Journal Title

      New J.Phy

      Volume: 12巻

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Journal Article] Effects of Molecular Dynamics on Electrical Conductance of Single Molecular Junction in Aqueous Solution : First Principles Calculations2010

    • Author(s)
      Arihiro Tawara, Tomofumi Tada, Satoshi Watanabe
    • Journal Title

      e-Jounral of Surface Science and Nanotechnology

      Volume: 8巻 Pages: 38-43

    • NAID

      130004934093

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Journal Article] Effects of Resonant Scattering by Probe Contacts on Nanoscale Four-Probe Resistance Measurements2010

    • Author(s)
      A.Terasawa, K.Tobimatsu, T.Tada, T.Yamamoto, S.Watanabe
    • Journal Title

      New Journal Physics

      Volume: 12

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20360016
  • [Journal Article] Theoretical Study of Quantum Interference Effects on Nanoscale Four-probe Measurements2010

    • Author(s)
      寺澤麻子、飛松啓司、多田朋史、山本貴博、渡邉聡
    • Journal Title

      Hyomen Kagaku

      Volume: 31 Issue: 8 Pages: 374-379

    • DOI

      10.1380/jsssj.31.374

    • NAID

      130004486613

    • ISSN
      0388-5321, 1881-4743
    • Language
      Japanese
    • Data Source
      KAKENHI-PROJECT-20360016
  • [Journal Article] ナノスケールの4端子抵抗測定における量子干渉効果の理論研究2010

    • Author(s)
      寺澤麻子, 飛松啓司, 多田朋史, 山本貴博, 渡邉聡
    • Journal Title

      表面科学

      Volume: 31 Pages: 374-379

    • NAID

      10026545966

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20360016
  • [Journal Article] Theoretical study of fore-probe resistance in nanoscale measurements : Monatomic carbon chains and(5, 5)-carbon nanotubes2009

    • Author(s)
      Asako Terasawa, Tomofumi Tada and Satoshi Watanabe
    • Journal Title

      Physical Review B

      Volume: 79(195436) Issue: 19 Pages: 1-5

    • DOI

      10.1103/physrevb.79.195436

    • Data Source
      KAKENHI-PROJECT-20360016
  • [Journal Article] First principles study on electronic structures of Ni/H/ZrO2 triple phase boudary2009

    • Author(s)
      Tomofumi Tada
    • Journal Title

      ECS Transactions (掲載確定)(印刷中)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19017004
  • [Journal Article] Hyperfine switching triggered by resonant tunneling for the detection of a single nuclear spin qubit2008

    • Author(s)
      Tomofumi Tada
    • Journal Title

      Phys. Lett. A 372

      Pages: 6690-6693

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19017004
  • [Journal Article] Submatrix inversion approach to the ab initio Green's function method for electrical transport2006

    • Author(s)
      Tomofumi Tada
    • Journal Title

      Electrical Journal of Surface Science and Nanotechnology 4

      Pages: 484-484

    • NAID

      130004439039

    • Data Source
      KAKENHI-PROJECT-17710114
  • [Journal Article] Quantum transport effects in Copper(II) phthalocyanine sandwiched between gold nanoelectrodes2005

    • Author(s)
      Tomofumi Tada, Shinya Hamayama, Masakazu Kondo, Kazunari Yoshizawa
    • Journal Title

      Journal of Physical Chemistry B 109

      Pages: 12443-12443

    • Data Source
      KAKENHI-PROJECT-17710114
  • [Journal Article] Computational study on stable structures, formation energies, and conductance of single benzene-dithiolate between two Au electrodes2005

    • Author(s)
      Satoru Tanibayashi, Tomofumi Tada, Satoshi Watanabe, Kazunari Yoshizawa
    • Journal Title

      Japanese Journal of Applied Physics 44

      Pages: 7729-7729

    • NAID

      130004766085

    • Data Source
      KAKENHI-PROJECT-17710114
  • [Journal Article] A theoretical measurement of the quantum transport through an optical molecular switch2005

    • Author(s)
      Masakazu Kondo, Tomofumi Tada, Kazunari Yoshizawa
    • Journal Title

      Chemical Physics Letter 412

      Pages: 55-55

    • Data Source
      KAKENHI-PROJECT-17710114
  • [Journal Article] Submatrix inversion approach to the ab initio Green's function method for electrical transport

    • Author(s)
      Tomofumi Tada, Satoshi Watanabe
    • Journal Title

      e-Journal of Surface Science and Nanotechnology 印刷中

    • NAID

      130004439039

    • Data Source
      KAKENHI-PROJECT-17710114
  • [Patent] 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
    • Data Source
      KAKENHI-PROJECT-21H01742
  • [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
    • Invited
    • Data Source
      KAKENHI-PROJECT-21H01742
  • [Presentation] Frontiers of Computational Materials Exploration Based on First Principles Calculations2023

    • Author(s)
      Tomofumi Tada
    • Organizer
      Mini-Symposium on Innovative Visualization for Materials Science
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H01742
  • [Presentation] 第一原理計算による量子多体系としてのエレクトライド解析2022

    • Author(s)
      多田朋史
    • Organizer
      第69回応用物理学会春季学術講演会
    • Data Source
      KAKENHI-PROJECT-17H06153
  • [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
    • Data Source
      KAKENHI-PROJECT-21H01742
  • [Presentation] Accurate mesoscale simulation for oxygen vacancy diffusion in BaTiO3 by kinetic Monte Carlo method via free energy multicanonical sampling2021

    • Author(s)
      Tomofumi Tada and Masaaki Araidai
    • Organizer
      Materials Research Meeting 2021
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19K22044
  • [Presentation] Large scale atomistic simulations driven by neural-network potential molecular dynamics and kinetic Monte Carlo with external fields2021

    • Author(s)
      Tomofumi Tada
    • Organizer
      Materials Research Meeting 2021
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17H06153
  • [Presentation] Large scale atomistic simulations driven by neural-network potential molecular dynamics and kinetic Monte Carlo with external fields2021

    • Author(s)
      Tomofumi Tada
    • Organizer
      Materials Research Meeting 2021
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19K22044
  • [Presentation] Recent developments in atomistic simulations for new compound search with energetics and multi-scale dynamics with kinetics2019

    • Author(s)
      Tomofumi Tada
    • Organizer
      The 1st International Symposium on Computational Structure Prediction and Advanced Materials
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19K22044
  • [Presentation] 準局在状態間トンネル伝導に関する理論的研究2019

    • Author(s)
      多田 朋史
    • Organizer
      日本化学会第99春季年会
    • Invited
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] Theoretical studies on a single molecular spin contact for quantum information processing2019

    • Author(s)
      Tomofumi Tada
    • Organizer
      Nature conference
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] 酸素内包フラーレン型分子におけるゼロ磁場分裂の第一原理計算2019

    • Author(s)
      山田秀祐・二子石師・村田靖次郎・多田朋史
    • Organizer
      日本化学会第99春季年会
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] Theoretical studies on a single molecular spin contact for quantum information processing2019

    • Author(s)
      Tomofumi Tada
    • Organizer
      Nature conference
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-16KT0016
  • [Presentation] Theoretical study on electron transport through organometallic molecular wires2018

    • Author(s)
      Tomofumi Tada
    • Organizer
      International Conference on Coordination Chemistry 2018 (ICCC2018)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] Theoretical study on electron transport through organometallic molecular wires2018

    • Author(s)
      Tomofumi Tada
    • Organizer
      International Conference on Coordination Chemistry 2018 (ICCC2018)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-16KT0016
  • [Presentation] 単分子コンダクタンスの分子鎖長依存性に関する解析的分子軌道を用いた理論解析2018

    • Author(s)
      菅野志優,多田朋史
    • Organizer
      日本化学会新領域ナノスケール分子デバイス第7 回若手セミナー
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] Full Atomistic Kinetic Monte Carlo with Direct Counting Approach for Ion Dynamics in Electrochemical Cells2018

    • Author(s)
      Tomofumi Tada
    • Organizer
      233rd ECS Meeting
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] 第一原理計算及びモンテカルロシミュレーションを用いたπスタック分子吸着における分子配向の基板依存性の理論的検討2018

    • Author(s)
      西山航平,多田朋史
    • Organizer
      日本化学会新領域ナノスケール分子デバイス第7 回若手セミナー
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] 単一スピン制御のための単分子コンタクトの理論的研究2017

    • Author(s)
      多田 朋史
    • Organizer
      日本化学会
    • Invited
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] Recent Topics on Orbital Rule for Single Molecular Conductance2016

    • Author(s)
      Tomofumi Tada
    • Organizer
      Fujihara Seminar-70
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] Theoretical Study on a Single Molecular Spin Control and Detection for Quantum Information Processing2016

    • Author(s)
      Tomofumi Tada
    • Organizer
      OCUIC-2016 Molecular Spins and Quantum Technology
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] Multiscale simulation for carrier mobility of micro-meter scale pi-conjugated molecular wire2016

    • Author(s)
      Tomofumi Tada
    • Organizer
      24th-International Colloquium on Scanning Probe Microscopy (ICSPM24)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] 有機高分子ワイヤーの量子波束散乱シミュレーションの現状と今後について2015

    • Author(s)
      多田朋史
    • Organizer
      数理構造保存を接点とした数学・HPC・実科学のクロスオーバー
    • Place of Presentation
      電気通信大学
    • Year and Date
      2015-11-24
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] 電子伝導とイオン伝導に関する第一原理計算からのマルチスケールシミュレーション2015

    • Author(s)
      多田朋史
    • Organizer
      第28期CAMMフォーラム
    • Place of Presentation
      アイビーホール, 東京
    • Year and Date
      2015-05-15
    • Invited
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] イオン輸送と電子輸送に関する 第一原理計算からの マルチスケールシミュレーション2015

    • Author(s)
      多田朋史
    • Organizer
      High Performance Computing Chemistry (HPCC) -2015-
    • Place of Presentation
      理化学研究所 計算科学研究機構
    • Year and Date
      2015-12-01
    • Invited
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] πスタック単分子架橋系の量子輸送計算2015

    • Author(s)
      多田朋史
    • Organizer
      日本化学会第95春季年会
    • Place of Presentation
      日大船橋キャンパス
    • Year and Date
      2015-03-26
    • Invited
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] Hybrid density functional study on electron transport though π-stack molecular junctions for high conductance2015

    • Author(s)
      T. Tada
    • Organizer
      PacifiCHEM2015
    • Place of Presentation
      Hawaii Convention Center
    • Year and Date
      2015-12-13
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] Wave packet scattering simulations for spin dependent transport in molecular-spin junctions2015

    • Author(s)
      T. Tada
    • Organizer
      CT-NanoSim2015
    • Place of Presentation
      Tsukuba Univ.
    • Year and Date
      2015-09-17
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] π造形科学:電子と構造のダイナミズム制御による新機能創出2014

    • Author(s)
      多田朋史, 福島孝典
    • Organizer
      第8回物性科学領域横断研究会
    • Place of Presentation
      大阪大学豊中キャンパス
    • Year and Date
      2014-11-21
    • Invited
    • Data Source
      KAKENHI-PLANNED-26102017
  • [Presentation] Kinetic Monte Carlo Study on oxygen migrations and chemical reactions in Ni/YSZ SOFC anode2013

    • Author(s)
      T. Tada and S. Watanabe
    • Organizer
      JSPS Asian Core Program: SNU-UT Workshop on Oxide Systems for Energy & Electric Applications
    • Place of Presentation
      Korea, Seoul
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] First-principles calculation of spin states on LaCoO3 and La0.5Ca0.5CoO3 surfaces2013

    • Author(s)
      Shunya Nakamura, Yasunobu Ando, Tomofumi Tada, Satoshi Watanabe
    • Organizer
      The 16th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Beijing, China
    • Year and Date
      2013-10-28
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First principles calculations and kinetic Monte Carlo simulations for chemical reaction analysis at the Ni/H2/YSZ triple phase boundary2013

    • Author(s)
      T. Tada, N. Watanabe, and S. Watanabe
    • Organizer
      International symposium on Simulations and Measurements for Electrochemistry in Solid Oxide Fuel Cells 2013
    • Place of Presentation
      Tokyo, Fukutake Hall
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] LaCoO3及びLa0.5Ca0.5CoO3表面におけるスピン状態の第一原理計算2013

    • Author(s)
      中村 俊也、多田 朋史、渡邉 聡
    • Organizer
      日本物理学会2013年秋季大会
    • Place of Presentation
      徳島県、徳島大学常三島キャンパス
    • Year and Date
      2013-09-26
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First-principles study on metal-oxide heterostructures under applied bias voltages toward the microscopic understanding of atomic switch2013

    • Author(s)
      Satoshi Watanabe, Xiao Bo, Arihiro Tawara, Tingku Gu and Tomofumi Tada
    • Organizer
      JSPS Asian Core Program: SNU-UT Workshop on Oxide Systems for Energy Electric Applications
    • Place of Presentation
      Seoul, Korea
    • Year and Date
      2013-01-08
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First principles calculations and kinetic Monte Carlo simulations for chemical reaction analysis at the Ni/H2/YSZ triple phase boundary2013

    • Author(s)
      T. Tada, N. Watanabe, and S. Watanabe
    • Organizer
      International symposium on Simulations and Measurements for Electrochemistry in Solid Oxide Fuel Cells 2013 (ISSM-SOFC2013)
    • Place of Presentation
      東京大学
    • Year and Date
      2013-03-11
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Kinetic Monte Carlo Study on oxygen migrations and chemical reactions in Ni/YSZ SOFC anode2013

    • Author(s)
      T. Tada and S. Watanabe
    • Organizer
      JSPS Asian Core Program: SNU-UT Workshop on Oxide Systems for Energy Electric Applications
    • Place of Presentation
      Seoul, Korea
    • Year and Date
      2013-01-09
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] 酸化タンタル原子スイッチに関する第一原理計算2013

    • Author(s)
      渡邉聡、B. Xiao、俵有央、T.Gu、多田朋史
    • Organizer
      物性研究所共同利用スーパーコンピュータ・計算物質科学研究センター(CCMS)・元素戦略プロジェクト 合同研究会「計算物性物理学の新展開」
    • Place of Presentation
      千葉県、東京大学物性研究所
    • Year and Date
      2013-01-11
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Kinetic Monte Carlo Simulation of Electrode/Electrolyte Interface Effects on Electrochemical Impedance Spectroscopy in Solid Oxide Fuel Cell2013

    • Author(s)
      Li Wendi, Hayato Tanaka, Yasunobu Ando, Tomofumi Tada, and Satoshi Watanabe
    • Organizer
      第33回表面科学学術講演会
    • Place of Presentation
      茨城県、つくば国際会議場
    • Year and Date
      2013-11-27
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First principles calculationsof fuel oxidation reactions at the triplephase boundary in Solid Oxide Fuel Cells,2012

    • Author(s)
      T. Tada
    • Organizer
      SNU-UT Workshop on Defect Chemical Natureof Advanced Materials
    • Place of Presentation
      University of Tokyo, Japan
    • Year and Date
      2012-03-29
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] First principles calculations of the chemical reactions at the triple phase boundary in Solid Oxide Fuel Cells2012

    • Author(s)
      T. Tada and S. Watanabe
    • Organizer
      BIT's 2nd Annual Congress of Nanoscience and Nanotechnology 2012
    • Place of Presentation
      Quingdao, China
    • Year and Date
      2012-10-26
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First-Principle study on the Switching Mechanism of Ta2O5 Atomic Switch2012

    • Author(s)
      Bo Xiao, Tomofumi Tada, Tingkun Gu, Arihiro Tawara, Satoshi Watanabe
    • Organizer
      IUMRS-International Conference on Electronic Materials (IUMRS-ICEM 2012)
    • Place of Presentation
      神奈川県、パシフィコ横浜
    • Year and Date
      2012-09-24
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First principles calculations of fuel oxidation reactions at the triple phase boundary in Solid Oxide Fuel Cells2012

    • Author(s)
      T.Tada
    • Organizer
      SNU-UT Workshop on Defect Chemical Nature of Advanced Materials
    • Place of Presentation
      University of Tokyo(招待講演)
    • Year and Date
      2012-03-29
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] Theoretical Study on the Conductive Path in Tantalum Oxide Atomic Switch2012

    • Author(s)
      Bo Xiao, Tomofumi Tada, Tingkun Gu, Arihiro Tawara, Satoshi Watanabe,
    • Organizer
      Nature Conference “Frontiers in Electronic Materials”
    • Place of Presentation
      Aachen, Germany
    • Year and Date
      2012-06-17
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Multiscale Investigation with Kinetic Monte Carlo and Density Functional Calculations on the Ni/YSZ Anode Cermet of Solid Oxide Fuel Cell2012

    • Author(s)
      T. Tada and S. Watanabe
    • Organizer
      IUMRS-International Conference on Electronic Materials (IUMRS-ICEM 2012)
    • Place of Presentation
      神奈川県、パシフィコ横浜
    • Year and Date
      2012-09-24
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Nanoscale and multiscale simulations on ion motion and chemical reactions in SOFC2012

    • Author(s)
      T. Tada and S. Watanabe
    • Organizer
      244th American Chemical Society National Meeting
    • Place of Presentation
      Philadelphia, U.S.A.
    • Year and Date
      2012-08-19
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First-Principles Simulations on Electronic and Dielectric Properties of Metal-Oxide Heterostructures for Understanding Nanoscale Devices2012

    • Author(s)
      S. Watanabe, S. Kasamatsu, S. Han, X. Bo, T. Gu, and T. Tada
    • Organizer
      ICEAN 2012: International Conference on Emerging Advanced Nanomaterials
    • Place of Presentation
      Australia, Brisbane
    • Invited
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] Calculation of the electronic structure of graphene on a SiO2 substrate2012

    • Author(s)
      T. Kawano, T. Tada, T. Yamamoto, M. Otani, S. Okada and S. Watanabe
    • Organizer
      IUMRS-International Conference on Electronic Materials (IUMRS-ICEM 2012)
    • Place of Presentation
      神奈川県、パシフィコ横浜
    • Year and Date
      2012-09-24
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First-Principles Simulations on Electric and Dielectric Properties of Metal-Oxide Heterostructures for Understanding Nanoscale Devices2012

    • Author(s)
      S. Watanabe, S. Kasamatsu, S. Han, X. Bo, T. Gu, and T. Tada,
    • Organizer
      ICEAN 2012: International Conference on Emerging Advanced Nanomaterials
    • Place of Presentation
      Brisbane, Australia
    • Year and Date
      2012-10-22
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Nanoscale and multiscale simulations on ion motion and chemical reactions in SOFC2012

    • Author(s)
      T. Tada and S. Watanabe
    • Organizer
      244th American Chemical Society National Meeting
    • Place of Presentation
      U.S.A., Philadelphia
    • Invited
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] 密度汎関数法に基づくナノスケール電気伝導ダイナミクスの解析2012

    • Author(s)
      渡邉聡, 多田朋史,平井大介,笠松秀輔,山本貴博, Seungwu Han
    • Organizer
      第6回 物性科学領域横断研究会
    • Place of Presentation
      東京大学
    • Year and Date
      2012-11-28
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Ab initio study on electron transport through single molecular junctions and its application to nano-scale devices2012

    • Author(s)
      T. Tada and S. Watanabe
    • Organizer
      International Conference on Small Science (ICSS)
    • Place of Presentation
      Orlando, USA
    • Year and Date
      2012-10-15
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First principles calculations of the chemical reactions at the triple phase boundary in Solid Oxide Fuel Cells2012

    • Author(s)
      T. Tada and S. Watanabe
    • Organizer
      BIT’s 2nd Annual Congress of Nanoscience and Nanotechnology 2012
    • Place of Presentation
      China, Quingdao
    • Invited
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] アモルファス SiO2基板上グラフェンの電気伝導特性の理論計算2012

    • Author(s)
      河野大志、多田朋史、山本貴博、大谷実、岡田晋、渡邉聡
    • Organizer
      第32回表面科学学術講演会
    • Place of Presentation
      宮城県、東北大学
    • Year and Date
      2012-11-21
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Theoretical Study on the Conductive Path in Cu/Ta2O5/Pt Atomic Switch2012

    • Author(s)
      B. Xiao, T. Tada, T.K. Gu, A. Tawara and S. Watanabe
    • Organizer
      International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
    • Place of Presentation
      大阪大学
    • Year and Date
      2012-10-12
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Frontiers in electronic structure calculations for single molecular junctions2012

    • Author(s)
      T.Tada
    • Organizer
      Asian International Symposium-Theoretical Chemistry, Chemoinformatics, Computational Chemistry
    • Place of Presentation
      Keio University(招待講演)
    • Year and Date
      2012-03-26
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] First-Principle Analysis on the Conductive Path in Cu/Ta2O5/Pt Atomic Switch2012

    • Author(s)
      Bo Xiao, Arihiro Tawara, Tingkun Gu, Tomofumi Tada, and Satoshi Watanabe,
    • Organizer
      15th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-15)
    • Place of Presentation
      Taipei, Taiwan
    • Year and Date
      2012-11-06
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Theoretical Study on Ta2O5 Atomic Switch: Response to External Electric Fields2012

    • Author(s)
      Satoshi Watanabe, Takuya Matsumoto, Arihiro Tawara, Tingkun Gu, Tomofumi Tada
    • Organizer
      2012 MRS Spring Meeting
    • Place of Presentation
      San Francisco, USA
    • Year and Date
      2012-04-12
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Frontiers in electronic structure calculations for single molecular junctions2012

    • Author(s)
      T.Tada
    • Organizer
      Asian International Symposium-Theoretical Chemistry, Chemoinformatics, Computational Chemistry-
    • Place of Presentation
      慶応義塾大学
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] Electron transport through π-stack molecular junction2012

    • Author(s)
      T. Tada and S. Watanabe
    • Organizer
      International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
    • Place of Presentation
      大阪大学
    • Year and Date
      2012-10-12
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First Principles calculations of chemical reactions at the triple phase boundary in solid oxide fuel cells2011

    • Author(s)
      Tomofumi Tada and Satoshi Watanabe
    • Organizer
      The 6th International Symposium on Surface Science -Towards Nano-, Bio-, and Green Innovation (ISSS-6)
    • Place of Presentation
      東京都、タワーホール船堀
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Theoretical analysis on the response of metal-Ta2O5 junction systems to external electric fields: Toward the understanding on microscopic mechanism of atomic switch2011

    • Author(s)
      Satoshi Watanabe, Takuya Matsumoto, Arihiro Tawara, Tingkun Gu, and Tomofumi Tada
    • Organizer
      The 6th International Symposium on Surface Science -Towards Nano-, Bio-, and Green Innovation (ISSS-6)
    • Place of Presentation
      東京都、タワーホール船堀
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Quantum transport and quantum information processing on single molecular junctions from first principles2011

    • Author(s)
      T.Tada
    • Organizer
      The 14th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      東京大学,東京
    • Year and Date
      2011-10-31
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] Simulation of nanoscale four-probe resistance measurements under finite bias voltages2011

    • Author(s)
      Asako Terasawa, Keiji Tobimatsu, Tomofumi Tada, Takahiro Yamamoto, Satoshi Watanabe
    • Organizer
      APS March meeting 2011
    • Place of Presentation
      Dallas, Taxes, U.S.A
    • Data Source
      KAKENHI-PROJECT-20360016
  • [Presentation] First-principles non-equilibrium Green's function study of Ta_2O_5 atomic switch2011

    • Author(s)
      Tingkun Gu, Tomofumi Tada, Satoshi Watanabe
    • Organizer
      15th International Workshop on Computational Physics and Materials Science : Total Energy and Force Methods
    • Place of Presentation
      Trieste, Itary
    • Year and Date
      2011-01-14
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First Principles calculations of chemical reactions at the triple phase boundary in solid oxide fuel cells2011

    • Author(s)
      T.Tada
    • Organizer
      The 6^<th> International Symposium on Surface Science-Towards, Nano-Bio-and Green Innovation
    • Place of Presentation
      Tower Hall Funabori, Tokyo
    • Year and Date
      2011-12-11
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] 単一スピンによるスピンフリップ非弾性電流シミュレーション2011

    • Author(s)
      多田朋史、山本貴博、渡邉聡
    • Organizer
      計算物質科学の課題と展望研究会
    • Place of Presentation
      千葉、柏
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] 単一分子接合における量子輸送特性に関する分子軌道論的理解2011

    • Author(s)
      多田朋史
    • Organizer
      第69回表面科学研究会「単一分子の表面科学」
    • Place of Presentation
      東京工業大学
    • Year and Date
      2011-03-09
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] The Kinetic Monte Carlo study on the vortex motion of oxygen vacancies at the Metal/vacuum/YSZ three phase boundary,2011

    • Author(s)
      Shunpei Suzuki, Tomofumi Tada and Satoshi Watanabe
    • Organizer
      The 6th International Symposium on Surface Science -Towards Nano-, Bio-, and Green Innovation (ISSS-6)
    • Place of Presentation
      東京都、タワーホール船堀
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Tight-binding study of transient electron transport under electron-phonon interaction2011

    • Author(s)
      Wei Liu, Kenji Sasaoka, Takahiro Yamamoto, Tomofumi Tada, and Satoshi Watanabe
    • Organizer
      The 6th International Symposium on Surface Science -Towards Nano-, Bio-, and Green Innovation (ISSS-6)
    • Place of Presentation
      東京都、タワーホール船堀
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Spin-flip transport in a single molecular junction from Green's function and wave-packet approaches2011

    • Author(s)
      T.Tada
    • Organizer
      Tsinghua-SNU-UT-2011 Workshop
    • Place of Presentation
      University of Tokyo
    • Year and Date
      2011-10-19
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] Quantum transport and quantum information processing on single molecular junctions from first principles2011

    • Author(s)
      Tomofumi Tada
    • Organizer
      The 14th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      東京大学
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Theoretical Study on Metal-Ta2O5 Junction Systems Toward The Understanding of Microscopic Mechanism of Atomic Switch2011

    • Author(s)
      Satoshi Watanabe, Takuya Matsumoto, Arihiro Tawara, Tingkun Gu, and Tomofumi Tada
    • Organizer
      Frontier of Functional-Oxide Nano Electronics “Application to Novel Three Terminal Switches”
    • Place of Presentation
      茨城県、物質材料研究機構
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Electron Transport in π-stacked Molecules aligned in Nano Space2011

    • Author(s)
      T.Tada, T.Yamamoto, S.Watanabe
    • Organizer
      International conference of New science created by Materials with Nano Spaces
    • Place of Presentation
      東北大学,仙台
    • Year and Date
      2011-11-25
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] Electron Transport in π-stacked Molecules aligned in Nano Space2011

    • Author(s)
      Tomofumi Tada, Takahiro Yamamoto, Satoshi Watanabe
    • Organizer
      International conference of New science created by Materials with Nano Spaces
    • Place of Presentation
      宮城県,東北大学
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Molecular orbital concept on spin flip transport in a single molecular junction2011

    • Author(s)
      T.Tada, T.Yamamoto, S.Watanabe
    • Organizer
      China-Japan Joint Symposium on Current and Future Molecular Electronics
    • Place of Presentation
      Nanjing, China
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] Electron Transport in π-stacked Molecules aligned in Nano Space2011

    • Author(s)
      T.Tada
    • Organizer
      International conference of New science created by Materials with Nano Spaces
    • Place of Presentation
      Sakura Hall, Tohoku University
    • Year and Date
      2011-11-23
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] Ab initio Based Simulations on Electron/Ion Transport at the Nanoscale2011

    • Author(s)
      S.Watanabe, T.Tada, S.Kasamatsu, T.K.Gu
    • Organizer
      Global Center for Excellence for Mechanical Systems Innovation 3^<rd> International Symposium
    • Place of Presentation
      Tokyo Univ., Tokyo, Japan
    • Year and Date
      2011-03-03
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Transient currents in molecular systems weakly coupled with electrodes2011

    • Author(s)
      Wei Liu, Kenji Sasaoka, Takahiro Yamamoto, Tomofumi Tada, and Satoshi Watanabe
    • Organizer
      China-Japan Joint Symposium on Current and Future Molecular Electronics
    • Place of Presentation
      Nanjing, China
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Molecular orbital concept on spin flip transport in a single molecular junction2011

    • Author(s)
      T.Tada
    • Organizer
      China-Japan Joint Symposium on Current and Future Molecular Electronics
    • Place of Presentation
      Nanjing University, Nanjing, China(招待講演)
    • Year and Date
      2011-10-24
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] Molecular orbital concept on spin flip transport in a single molecular junction2011

    • Author(s)
      Tomofumi Tada, Takahiro Yamamoto, and Satoshi Watanabe
    • Organizer
      China-Japan Joint Symposium on Current and Future Molecular Electronics
    • Place of Presentation
      Nanjing, China
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] コニカルカーボンナノ構造の熱伝導に関する非平衡シミュレーション2011

    • Author(s)
      トーマスデレック・アシュリー, 山本貴博, 多田朋史, 渡邉聡
    • Organizer
      第31回表面科学学術講演会
    • Place of Presentation
      船堀,東京
    • Year and Date
      2011-12-15
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] Spin-flip transport in a single molecular junction from Green’s function and wave-packet approaches2011

    • Author(s)
      Tomofumi Tada, Takahiro Yamamoto, and Satoshi Watanabe
    • Organizer
      Tsinghua-SNU-UT-2011Workshop
    • Place of Presentation
      東京大学
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Simulation of nanoscale four-probe resistance measurements under finite bias voltages2011

    • Author(s)
      Asako Terasawa, Keiji Tobimatsu, Tomofumi Tada, Takahiro Yamamoto and Satoshi Watanabe
    • Organizer
      APS March meeting 2011
    • Place of Presentation
      Dallas, U. S. A
    • Data Source
      KAKENHI-PROJECT-20360016
  • [Presentation] Spin-flip transport in a single molecular junction from Green's function and wave-packet approaches2011

    • Author(s)
      T.Tada, T.Yamamoto, S.Watanabe
    • Organizer
      Tsinghua-SNU-UT-2011Workshop
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2011-10-19
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] 単一分子接合における量子輸送特性に関する分子軌道論的理解2011

    • Author(s)
      多田朋史
    • Organizer
      第69回表面科学研究会
    • Place of Presentation
      東京
    • Year and Date
      2011-03-09
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] 単一スピンによるスピンフリップ非弾性電流シミュレーション2011

    • Author(s)
      多田朋史、山本貴博、渡邉聡
    • Organizer
      計算物質科学の課題と展望
    • Place of Presentation
      東京大学物性研究所
    • Year and Date
      2011-01-06
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Quantum transport and quantum information processing on single molecular junctions from first principles2011

    • Author(s)
      T.Tada
    • Organizer
      The 14^<th> Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Takeda Building, University of Tokyo(招待講演)
    • Year and Date
      2011-10-30
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] ナノ構造系の4端子抵抗測定におけるバイアス電圧の影響に関する理論研究2010

    • Author(s)
      寺澤麻子, 飛松啓司, 多田朋史, 山本貴博, 渡邉聡
    • Organizer
      第30回表面科学学術講演会
    • Place of Presentation
      大阪コンベンションセンター
    • Year and Date
      2010-11-04
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] Nanoscale simulations on electronic and atomic conduction in solid electrolyte/metal junction systems2010

    • Author(s)
      Satoshi Watanabe, Tomofumi Tada, shusuke Kasamatsu, T.K.Gu
    • Organizer
      IUMRS 11th International Conference in Asia
    • Place of Presentation
      Qingdao, China
    • Data Source
      KAKENHI-PROJECT-20360016
  • [Presentation] ナノ構造系の4端子抵抗測定におけるバイアス電圧の影響に関する理論研究2010

    • Author(s)
      寺澤麻子, 飛松啓司, 多田朋史, 山本貴博, 渡邉聡
    • Organizer
      第30回表面科学学術講演会
    • Place of Presentation
      大阪コンベンションセンター
    • Year and Date
      2010-11-04
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Wave Packet dynamics on Spin-Flip Transport through Nanocontact2010

    • Author(s)
      Tomofumi Tada, Takahiro Yamamoto, Satoshi Watanabe
    • Organizer
      SSSJ-A3 Foresight Joint Symposium on Nanomaterials and Nanostructures
    • Place of Presentation
      Pohang, Korea
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] ナノ構造系の4端子抵抗測定におけるバイアス電圧の影響に関する理論研究2010

    • Author(s)
      寺澤麻子, 飛松啓司, 多田朋史, 山本貴博, 渡邉聡
    • Organizer
      第30回表面科学学術講演会
    • Place of Presentation
      大阪大学コンベンションセンター
    • Data Source
      KAKENHI-PROJECT-20360016
  • [Presentation] 単一分子接合における電子・核スピンフリップを利用した量子演算素子の理論的研究2010

    • Author(s)
      多田朋史
    • Organizer
      日本化学会新領域研究グループ:ナノスケール分子デバイス第2回若手セミナー
    • Place of Presentation
      大阪
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] 集積型プロトン核スピン量子演算素子に関する第一原理計算2010

    • Author(s)
      多田朋史
    • Organizer
      第8回水素量子アトミクス研究会
    • Place of Presentation
      愛媛大学
    • Year and Date
      2010-10-27
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Wave Packet dynamics on Spin-Flip Transport through Nanocontact2010

    • Author(s)
      Tomofumi Tada
    • Organizer
      SSSJ-A3 Foresight Joint Symposium on Nanomaterials and Nanostructures
    • Place of Presentation
      Koshiba Hall, Univ.of Tokyo
    • Year and Date
      2010-07-05
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] Chemically softened boundary of metal/fuel/oxide triple phase boundary from first principles2010

    • Author(s)
      Tomofumi Tada
    • Organizer
      Psi K conference 2010
    • Place of Presentation
      Henry Ford Building, Berlin, Germany
    • Year and Date
      2010-09-12
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] 量子波束散乱法による分子スピンフリップ非弾性電流計算2010

    • Author(s)
      多田朋史
    • Organizer
      日本物理学会第65回年次大会
    • Place of Presentation
      岡山大学津島キャンパス(岡山)
    • Year and Date
      2010-03-23
    • Data Source
      KAKENHI-PROJECT-20027003
  • [Presentation] Hyperfine Switching triggered by resonant tunneling for the detection and operation of a single nuclear spin qubit2010

    • Author(s)
      Tomofumi Tada
    • Organizer
      2010 International Symposium on Physics of Quantum Technology
    • Place of Presentation
      Hitotsubashi Memorial Hall
    • Year and Date
      2010-04-06
    • Data Source
      KAKENHI-PROJECT-22760534
  • [Presentation] Electronic transport of a single molecular bridge at room temperature, in aqueous solution and under applied bias voltage : a non-equilibrium Green's function study coupled with moleculardyna mics simulations2010

    • Author(s)
      Daiki Inazuka, Arihiro Tawara, Tomofumi Tada, Satoshi Watanabe
    • Organizer
      The 13-th Asian Workshop on First-Principles Electronic Structure Calculations
    • Place of Presentation
      Pohang, Korea
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] Nanoscale simulations on electronic and atomic conduction in solid electrolyte/metal junction systems2010

    • Author(s)
      S.Watanabe, T.Tada, S.Kasamatsu, T.K.Gu
    • Organizer
      IUMRS 11th International Conference in Asia
    • Place of Presentation
      Qingdao, China
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First-principles study on transport properties of graphene flakes2010

    • Author(s)
      Tomoya Ono, Tadashi Ota
    • Organizer
      ElecMol'10
    • Place of Presentation
      Grenoble, France
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] 核スピン反転を利用した単一分子接合系における量子演算素子に関する第一原理計算2010

    • Author(s)
      多田朋史
    • Organizer
      単一分子エレクトロニクスの現状認識と近未来実現へ向けての中核体制構築第二回研究会
    • Place of Presentation
      国際高等研究所
    • Year and Date
      2010-10-22
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Wave Packet dynamics on Inelastic Spin-Flip Transport in Molecular junctions2009

    • Author(s)
      多田朋史
    • Organizer
      International symposium on Quantum Nanoelectronics and Nanophotonics(ISQNN 2009)
    • Place of Presentation
      東京大学駒場リサーチキャンパス(東京)
    • Year and Date
      2009-11-18
    • Data Source
      KAKENHI-PROJECT-20027003
  • [Presentation] 単一分子架橋系におけるスピンフリップ非弾性電流シミュレーション2009

    • Author(s)
      多田朋史
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      熊本大学黒髪キャンパス(熊本)
    • Year and Date
      2009-09-26
    • Data Source
      KAKENHI-PROJECT-20027003
  • [Presentation] First principles study on the electronic structure and reactivity of Ni/H/Zr02 triple phase boundary in solid oxide fuel cell2009

    • Author(s)
      Tomofumi Tada
    • Organizer
      Nonstoichiometric Compounds
    • Place of Presentation
      Jeju island/Korea
    • Year and Date
      2009-03-11
    • Data Source
      KAKENHI-PROJECT-19017004
  • [Presentation] 非平衡グリーン関数法による単一分子接合系の超微細相互作用とNMR特性の検討2008

    • Author(s)
      多田朋史
    • Organizer
      日本物理学会 第63回年次大会
    • Place of Presentation
      近畿大学本部キャンパス
    • Year and Date
      2008-03-26
    • Data Source
      KAKENHI-PROJECT-17710114
  • [Presentation] Ni/H2/YSZ三相界面における水酸化反応の第一原理計算2008

    • Author(s)
      多田朋史
    • Organizer
      第34回固体イオニクス討論会
    • Place of Presentation
      東京
    • Year and Date
      2008-12-04
    • Data Source
      KAKENHI-PROJECT-19017004
  • [Presentation] First principles study on Hydrogen diffusion and oxidation at the triple-phase-boundary of Ni/H2/ZrO22008

    • Author(s)
      Tomofumi Tada
    • Organizer
      Pacific Rim Meeting on Electrochemical and Solid-state Science
    • Place of Presentation
      Honolulu/U.S.A.
    • Year and Date
      2008-10-16
    • Data Source
      KAKENHI-PROJECT-19017004
  • [Presentation] Ab initio Green's function study on STM-NMR simulation of single molecular devices2007

    • Author(s)
      Tomofumi Tada
    • Organizer
      ICN+T 2007
    • Place of Presentation
      ストックホルム
    • Year and Date
      2007-07-03
    • Data Source
      KAKENHI-PROJECT-17710114
  • [Presentation] 第一原理計算による固体酸化物形燃料電池の燃料極反応場に関する理論的2007

    • Author(s)
      多田朋史
    • Organizer
      2007年電気化学秋季大会
    • Place of Presentation
      東京工業大学大岡山キャンパス
    • Year and Date
      2007-09-20
    • Data Source
      KAKENHI-PROJECT-19017004
  • [Presentation] Ni-YSZ燃料極反応場探索とサーメット伝導特性に関する第一原理計算2007

    • Author(s)
      多田朋史
    • Organizer
      第33回固体イオニクス討論会
    • Place of Presentation
      名古屋国際会議場
    • Year and Date
      2007-12-06
    • Data Source
      KAKENHI-PROJECT-19017004
  • [Presentation] “Theoretical Study on the Conductive Paths in Cu/Ta2O5/Pt Atomic Switch”

    • Author(s)
      Bo Xiao, Tingkun Gu, Tomofumi Tada, Arihiro Tawara, Satoshi Watanabe
    • Organizer
      2013 MRS Spring Meeting
    • Place of Presentation
      San Francisco, USA
    • Year and Date
      2013-04-01 – 2013-04-05
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Ab Initio Based Simulations on Electronic and Atomic Transport in Solid Electrolyte/Metal Junction Systems

    • Author(s)
      Satoshi watanabe, Tomofumi Tada, Shusuke Kasamatsu and Tingkun Gu
    • Organizer
      Materials Research Society 2011 Spring Meeting
    • Place of Presentation
      San Francisco, U.S.A
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] First-principles study on metal-TaOx-metal heterostructures: response toapplied bias voltages

    • Author(s)
      S. Watanabe、T. Matsumoto, A. Tawara, T.K. Gu and T. Tada
    • Organizer
      2012 American Physical Society March Meeting
    • Place of Presentation
      Boston、U.S.A.
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] 固体酸化物形燃料電池の燃料極局所反応場における酸素拡散に関する動的モンテカルロ計算

    • Author(s)
      多田朋史、鈴木駿平、渡邉聡
    • Organizer
      日本物理学会2011年秋季大会
    • Place of Presentation
      富山大学
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] "Space Charge Layer Formation at Metal/Zirconia Interface Examined Using a Parallel-Sheets Model"

    • Author(s)
      Shusuke Kasamatsu, Tomofumi Tada, Satoshi Watanabe
    • Organizer
      The 19th International Conference on Solid State Ionics
    • Place of Presentation
      京都府、京都国際会議場
    • Year and Date
      2013-06-02 – 2013-06-07
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Theoretical Analysis of the Space Charge Effect at the Metal/Oxide Interface - Fermi Level Alignment Model

    • Author(s)
      Shusuke Kasamatsu, Tomofumi Tada and Satoshi Watanabe
    • Organizer
      2011 Materials Research Society (MRS) Spring Meeting
    • Place of Presentation
      San Francisco, U.S.A
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] “Conduction Mechanism in Copper/Tantrum Oxide/Platinum Atomic Switch: First-Principles Studies”

    • Author(s)
      Bo Xiao, Tingkun Gu, Tomofumi Tada, Satoshi Watanabe
    • Organizer
      The 19th International Conference on Solid State Ionics
    • Place of Presentation
      京都府、京都国際会議場
    • Year and Date
      2013-06-02 – 2013-06-07
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] Frontiers in electronic structure calculations for single molecular junctions

    • Author(s)
      Tomofumi Tada
    • Organizer
      Asian International Symposium - Theoretical Chemistry, Chemoinformatics, Computational Chemistry&#8211;
    • Place of Presentation
      神奈川県,慶応大
    • Invited
    • Data Source
      KAKENHI-PLANNED-22104007
  • [Presentation] 核スピン反転を利用した単一分子接合系における量子演算素子に関する第一原理計算

    • Author(s)
      多田朋史
    • Organizer
      分子エレクトロニクスの現状認識と近未来実現へ向けての中核体制構築第二回研究会
    • Place of Presentation
      京都
    • Data Source
      KAKENHI-PUBLICLY-22013004
  • [Presentation] ”Conduction Paths in Tantalum-Oxide-based Resistive Switches: First-Principles Study”

    • Author(s)
      Bo Xiao, Tingkun Gu, Tomofumi Tada, Satoshi Watanabe
    • Organizer
      ACSIN-12&ICSPM21
    • Place of Presentation
      茨城県、つくば国際会議場
    • Year and Date
      2013-11-05 – 2013-11-06
    • Data Source
      KAKENHI-PLANNED-22104007
  • 1.  SATOSHI Watanabe (00292772)
    # of Collaborated Projects: 3 results
    # of Collaborated Products: 62 results
  • 2.  TOTSUKA Hideomi (10339260)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 0 results
  • 3.  YAMAMOTO Takahiro (30408695)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 23 results
  • 4.  ANDO Yasunobu (00715039)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 2 results
  • 5.  MINAMITANI Emi (00457003)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 0 results
  • 6.  WATANABE Kazuyuki (50221685)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 44 results
  • 7.  SOUMA Satofumi (20432560)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 8.  ONO Tomoya (80335372)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 3 results
  • 9.  SAKAI Akira (80143543)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 10.  KONABE Satoru (40535506)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 11.  HU Chunping (00512758)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 6 results
  • 12.  SASAOKA Kenji (20516364)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 3 results
  • 13.  Matsuo Takayasu (90293670)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 14.  Fukushima Takanori (70281970)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 1 results
  • 15.  Hosono Hideo (30157028)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 3 results
  • 16.  Matsumoto Hiroshige (70283413)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 17.  山本 有作 (20362288)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 18.  宮武 勇登 (60757384)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 19.  星 健夫 (80272384)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 20.  櫻井 英博 (00262147)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 21.  忍久保 洋 (50281100)
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