Tomofumi Tada

Profile Information

Affiliation: 教授, エネルギー研究教育機構, 九州大学

Degree: Ph.D(Hiroshima University)

Researcher number: 40376512
ORCID ID: https://orcid.org/0000-0003-3093-3779
J-GLOBAL ID: 200901079817655355
researchmap Member ID: 5000025430

External link: http://qcs.kyushu-u.ac.jp/index.html

Research Interests

Research Areas

Research History

Jan, 2013 - Aug, 2019

Associate Professor, Materials Research Center for Element Strategy, Tokyo Institute of Technology
Mar, 2012 - Dec, 2012

特任准教授, 機械工学系グローバルCOE(GMSI), 東京大学大学院
Mar, 2011 - May, 2012

Project Lecturer, Global COE for Mechanical Systems Innovation, The university of Tokyo
Apr, 2007 - Feb, 2011

Assistant Professor, Department of Materials and Engineering, The University of Tokyo
May, 2004 - Mar, 2007

- 東京大学大学院工学系研究科マテリアル工学専攻助手
Apr, 2002 - May, 2004

九州大学有機化学基礎研究センター博士研究員
2001 - 2002

Hiroshima University
1998

Hiroshima University

Education

- 2002

Chemistry, Graduate School, Division of Natural Science, Hiroshima University
- 2002

Hiroshima University
- 1996

Chemistry, Faculty of Science, Hiroshima University
- 1996

Department of Chemistry, Faculty of Science, Hiroshima University

Committee Memberships

May, 2018 - Present

Subject Editor, STAM MI Forum
Aug, 2017 - Aug, 2017

現地実行委員, The Tenth International Conference on the Science and Technology for Advanced Ceramics (STAC-10)
Jan, 2010 - Jan, 2015

運営委員, 日本化学会：新研究領域「ナノスケール分子デバイス」
Jun, 2014 - Jun, 2014

現地実行委員, The Eighth International Conference on the Science and Technology for Advanced Ceramics (STAC-8)
Jan, 2011 - Mar, 2013

新著委員, 日本物理学会新著紹介小委員会
Dec, 2011 - Dec, 2011

現地実行委員, International Symposium on Surface Science (ISSS-6)
May, 2010 - Apr, 2011

運営委員, 日本物理学会領域９(表面界面･結晶成長)
Jun, 2007 - Jun, 2007

プログラム委員, International Symposium, Frontiers in Computational Science of Nanoscale Transport in conjunction with Atomistix Workshop 2007

Papers

Topological insulator as an efficient catalyst for oxidative carbonylation of amines

Jiang Li, Jiazhen Wu, Sang-won Park, Masato Sasase, Tian-Nan Ye, Yangfan Lu, Masayoshi Miyazaki, Toshiharu Yokoyama, Tomofumi Tada, Masaaki Kitano …

Science Advances, 9(38), Sep 22, 2023
Single-Molecule Identification of Nucleotides Using a Quantum Computer

Masateru Taniguchi, Takahito Ohshiro, Tomofumi Tada

The Journal of Physical Chemistry B, 127(30) 6636-6642, Jul 19, 2023
Quasielastic neutron scattering probing H⁻ dynamics in H⁻ conductors LaH_3−2xO_x

Hiromu Tamatsukuri, Keiga Fukui, Soshi Iimura, Takashi Honda, Tomofumi Tada, Youichi Murakami, Jun-ichi Yamaura, Yoshio Kuramoto, Hajime Sagayama, Takeshi Yamada …

Physical Review B, 107(18) 184114, May 23, 2023 Peer-reviewed
Room-Temperature Fast H^– Conduction in Oxygen-Substituted Lanthanum Hydride

Keiga Fukui, Soshi Iimura, Albert Iskandarov, Tomofumi Tada, Hideo Hosono

Journal of the American Chemical Society, 144(4) 1523-1527, Feb 2, 2022
Control of dominant conduction orbitals by peripheral substituents in paddle-wheel diruthenium alkynyl molecular junctions

Shiori Ogawa, Swarup Chattopadhyay, Yuya Tanaka, Tatsuhiko Ohto, Tomofumi Tada, Hirokazu Tada, Shintaro Fujii, Tomoaki Nishino, Munetaka Akita

Chemical Science, 12(32) 10871-10877, Aug 28, 2021
Organometallic Molecular Wires with Thioacetylene Backbones, trans-{RS-(C≡C)<inf>n</inf>}<inf>2</inf>Ru(phosphine)<inf>4</inf>: High Conductance through Non-Aromatic Bridging Linkers

Atsushi Yashiro, Yuya Tanaka, Tomofumi Tada, Shintaro Fujii, Tomoaki Nishino, Munetaka Akita

Chemistry - A European Journal, 27(37) 9666-9673, Jul 2, 2021
Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal-metal interaction

Yuya Tanaka, Yuya Kato, Kaho Sugimoto, Reo Kawano, Tomofumi Tada, Shintaro Fujii, Manabu Kiguchi, Munetaka Akita

Chemical Science, 12(12) 4338-4344, Mar 28, 2021
Stabilization Factor of Anion-Excess Fluorite Phase for Fast Anion Conduction

Keiga Fukui, Soshi Iimura, Junjie Wang, Tomofumi Tada, Takashi Honda, Kazutaka Ikeda, Toshiya Otomo, Hideo Hosono

Chemistry of Materials, 33(5) 1867-1874, Mar 9, 2021
Single-Molecule Junction of a Cationic Rh(III) Polyyne Molecular Wire

Yuya Tanaka, Kohei Ohmura, Shintaro Fujii, Tomofumi Tada, Manabu Kiguchi, Munetaka Akita

Inorganic Chemistry, 59(18) 13254-13261, Sep 21, 2020
Vacancy-enabled N2 activation for ammonia synthesis on an Ni-loaded catalyst

Tian-Nan Ye, Sang-Won Park, Yangfan Lu, Jiang Li, Masato Sasase, Masaaki Kitano, Tomofumi Tada, Hideo Hosono

Nature, 583(15) 391-395, Jul, 2020 Peer-reviewedInvited
Hybrid Molecular Junctions Using Au−S and Au−π Bindings

Shintaro Fujii, Madoka Iwane, Shunsuke Furukawa, Tomofumi Tada, Tomoaki Nishino, Masaichi Saito, and Manabu Kiguchi

J. Phys. Chem. C, 124(17) 9261-9268, Jun, 2020 Peer-reviewedInvited
Transition Metal doped Ru Nanoparticles Loaded on Metal Hydrides for Efficient Ammonia Synthesis from First Principles

Takuya Nakano, Tomofumi Tada, and Hideo Hosono

J. Phys.Chem. C, 124 1529-1534, Jan, 2020 Peer-reviewedInvited
The role of lattice vibration in the terahertz region for proton conduction in 2D metal-organic frameworks

Tomoya Itakura, Hiroshi matsui, Tomofumi Tada, Susumu Kitagawa, Aude Demessence, and Datoshi Horike

Chem. Sci., 11 1538-1541, Jan, 2020 Peer-reviewedInvited
First-Principles and Microkinetic Study on the Mechanism for Ammonia Synthesis Using Ru-Loaded Hydride Catalyst

Takuya Nakao, Tomofumi Tada, Hideo Hosono

J. Phys.Chem. C, 124 2070-2078, Jan, 2020 Peer-reviewed
Low-Temperature Synthesis of Perovskite Oxynitride-Hydrides as Ammonia Synthesis Catalysts

Masaaki Kitano, Jun Kujirai, Kiya Ogasawara, Satoru Matsuishi, Tomofumi Tada, Hitoshi Abe, Yasuhiro Niwa, Hideo Hosono

Journal of the American Chemical Society, Dec 26, 2019 Peer-reviewed
Palladium-bearing intermetallic electride as an efficient and stable catalyst for Suzuki cross-coupling reactions

Ye Tian-Nan, Lu Yangfan, Xiao Zewen, Li Jiang, Nakao Takuya, Abe Hitoshi, Niwa Yasuhiro, Kitano Masaaki, Tada Tomofumi, Hosono Hideo

NATURE COMMUNICATIONS, 10(1), Dec 11, 2019 Peer-reviewed
Characteristic fast H- ion conduction in oxygen-substituted lanthanum hydride

Fukui Keiga, Iimura Soshi, Tada Tomofumi, Fujitsu Satoru, Sasase Masato, Tamatsukuri Hiromu, Honda Takashi, Ikeda Kazutaka, Otomo Toshiya, Hosono Hideo

NATURE COMMUNICATIONS, 10(1), Jun 12, 2019 Peer-reviewed
Discovery of hexagonal ternary phase Ti₂InB₂ and its evolution to layered boride TiB

Junjie Wang, Tian-Nan Ye, Yutong Gong, Jiazhen Wu, Nanxi Miao, Tomofumi Tada, and Hideo Hosono

NATURE COMMUNICATIONS, 10 2284, May, 2019 Peer-reviewedInvited
Triptycene Tripods for the Formation of Highly Uniform and Densely Packed Self-Assembled Monolayers with Controlled Molecular Orientation

Fumitaka Ishiwari, Giulia Nascimbeni, Eric Sauter, Hiromu Tago, Yoshiaki Shoji, Shintaro Fujii, Manabu Kiguchi, Tomofumi Tada, Michael Zharnikov, Egbert Zojer …

Journal of the American Chemical Society, 141(14) 5995-6005, Apr, 2019 Peer-reviewed
Anionic Ferrocene and its Unique Electronic State

Masaichi Saito, Naoki Matsunaga, Jumpei Hamada, Shunsuke Furukawa, Tomofumi Tada, and Rolfe H. Herber

Chem. Lett., 48 163-165, Jan, 2019 Peer-reviewed

Misc.

Parallel Kinetic Monte Carlo simulations with the open boundary condition for the Solid Oxide Fuel Cell applications

Tada Tomofumi, Watanabe Naoki

Meeting abstracts of the Physical Society of Japan, 68(2) 801-801, Aug 26, 2013
First-principles calculation of spin states on LaCoO_3 and La_<0.5>Ca_<0.5>CoO_3 surface

Nakamura Shunya, Tada Tomofumi, Watanabe Satoshi

Meeting abstracts of the Physical Society of Japan, 68(2) 816-816, Aug 26, 2013
Chemical/Physical characterization for Ni/YSZ interfaces from first principles calculations

Takemoto Seiji, Tada Tomofumi

Meeting abstracts of the Physical Society of Japan, 68(2) 817-817, Aug 26, 2013
Nanoscale and multiscale simulations on ion motion and chemical reactions in SOFC

Tomofumi Tada, Satoshi Watanabe

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 244, Aug, 2012
22aHA-10 First-principles non-equilibrium Green's function study on elementary voltages driven by single reactions in fuel cells

TADA Tomofumi, SUZUKI Shunpei, WATANABE Satoshi

Meeting abstracts of the Physical Society of Japan, 66(2) 909-909, Aug 24, 2011
26aWS-5 First-principles non-equilibrium Green's function study on elementary voltages driven by single reactions in fuel cells

TADA Tomofumi, WATANABE Satoshi

Meeting abstracts of the Physical Society of Japan, 65(2) 881-881, Aug 18, 2010
Effects of resonant scattering by probe contacts on nanoscale four-probe resistance measurements

Asako Terasawa, Keiji Tobimatsu, Tomofumi Tada, Takahiro Yamamoto, Satoshi Watanabe

NEW JOURNAL OF PHYSICS, 12 083017, Aug, 2010
23aGL-7 Wave packet study on inelastic spin-flip current through a single molecular junction

TADA T., YAMAMOTO T., SASAOKA K., WATANABE S.

Meeting abstracts of the Physical Society of Japan, 65(1) 960-960, Mar 1, 2010
Theoretical Study of Quantum Interference Effects on Nanoscale Four-probe Measurements

TERASAWA Asako, TOBIMATSU Keiji, TADA Tomofumi, YAMAMOTO Takahiro, WATANABE Satoshi

Journal of the Surface Science Society of Japan, 31(8) 374-379, 2010
Chemically Softened Boundary of Metal/Vacuum/Solid-Electrolyte from First Principles

Tomofumi Tada, Satoshi Watanabe

JOURNAL OF PHYSICAL CHEMISTRY C, 113(41) 17780-17786, Oct, 2009
26pPSB-44 First-Principles Calculations on Conduction Property and Generation Process of Conduction Passes in Ag_2S Atomic Switch

Takagi Yuji, Wang Zhongchang, Gu Tingkun, Tada Tomofumi, Watanabe Satoshi

Meeting abstracts of the Physical Society of Japan, 64(2) 828-828, Aug 18, 2009
26pPSB-52 Theoretical study on dynamics and transport properties of a single molecular junction by molecular dynamics coupled with nonequilibrium Green's function method

Inazuka Daiki, Tawara Arihiro, Tada Tomofumi, Watanabe Satoshi

Meeting abstracts of the Physical Society of Japan, 64(2) 830-830, Aug 18, 2009
26pPSB-57 Development of a multi-probe electronic transport simulator and simulation of four-probe measurements of carbon nanotubes

Tobimatsu K., Terasawa A., Yamamoto T., Tada T., Watanabe S.

Meeting abstracts of the Physical Society of Japan, 64(2) 832-832, Aug 18, 2009
26pPSB-51 Wave packet dynamics on inelastic spin-flip transport through a single molecular junction

TADA T., YAMAMOTO T., SASAOKA K., WATANABE S.

Meeting abstracts of the Physical Society of Japan, 64(2) 830-830, Aug 18, 2009
26pPSB-45 Theoretical Study on Solvent Effects in Current Characteristics of Molecular Bridge between Electrodes V

Tawara Arihiro, Tada Tomofumi, Watanabe Satoshi

Meeting abstracts of the Physical Society of Japan, 64(2) 829-829, Aug 18, 2009
25aYG-6 Quantum interference effect on multi-probe electron transport in nanowires and nanotubes

Terasawa A., Tobimatsu K., Tada T., Yamamoto T., Watanabe S.

Meeting abstracts of the Physical Society of Japan, 64(2) 797-797, Aug 18, 2009
Electrostatic and dynamical effects of an aqueous solution on the zero-bias conductance of a single molecule: A first-principles study

Arihiro Tawara, Tomofumi Tada, Satoshi Watanabe

PHYSICAL REVIEW B, 80(7) 073409, Aug, 2009
First principles calculations on electron conduction paths in solid electrolytes: Toward an understanding of the working mechanism of atomic switches

S. Watanabe, T. K. Gu, Z. C. Wang, T. Tada

Nippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals, 73(8) 577-582, Aug, 2009
Comparative Study of Charged and Neutral Oxygen Vacancies in Cubic Zirconia from First Principles

Shusuke Kasamatsu, Tomofumi Tada, Satoshi Watanabe

APPLIED PHYSICS EXPRESS, 2(6) 061402, Jun, 2009
Theoretical study of four-probe resistance in nanoscale measurements: Monatomic carbon chains and (5,5)-carbon nanotubes

Asako Terasawa, Tomofumi Tada, Satoshi Watanabe

PHYSICAL REVIEW B, 79(19) 195436, May, 2009

Books and Other Publications

計算科学と実験でホウ素含有の新MAX相を発見

多田朋史, 細野秀雄 (Role: Joint author)

FC Report, Feb, 2020
第一原理計算と並列化動的モンテカルロ法による原子スケールからの大規模長時間固体電解質シミュレーション

多田朋史

応用物理学会分科会シリコンテクノロジー, Jun, 2018
Orbital Rule for Electron Transport of Molecular Junctions

Tomofumi Tada

Springer, Jun, 2016
Quantum transport and quantum information processing in single molecular junctions

Tomofumi Tada

InTech, Jun, 2012
Quantum Chemistry –Molecules for Innovations–

Tomofumi Tada (Role: Editor)

Jun, 2012

Presentations

202

Theoretical studies on a single molecular spin contact for quantum information processing

T. Tada

Nature Conference Invited
準局在状態間トンネル伝導に関する理論的研究

多田朋史

日本化学会第99回春季年会 Invited
Evolutionally search with density functional calculations for a new class of one-dimensional electride as a Mott-insulator

T. Tada, J. Wang, and H. Hosono

CSW2019
Atomistic flow to Macroscopic flow: Nernst’s potential from atomistic kinetic Monte Carlo with first principles

T. Tada

5th SCI workshop
Theoretical study on electron transport through organometallic molecular wires

T. Tada

International Conference on Coordination Chemistry 2018 (ICCC2018) Invited
第一原理計算と並列化動的モンテカルロ法による原子スケールからの大規模長時間固体電解質シミュレーション

多田朋史

応用物理学会シリコンテクノロジー分科会第209回研究集会 Invited
Full Atomistic Kinetic Monte Carlo with Direct Counting Approach for Ion Dynamics in Electrochemical Cells

T. Tada

233rd ECS Invited
Full atomistic kinetic Monte Carlo with direct counting approach for electromotive force of electrochemical cells

T. Tada

AEMC2018 Invited
原子スケールのイオンダイナミクスで記述するマクロスケールの電気化学現象

多田朋史

日本化学会第98回春季年会 Invited
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

菅野志優, 多田朋史

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
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

西山航平, 多田朋史

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
第一原理計算と並列化動的モンテカルロ計算によるCaH2のヒドリド伝導ダイナミクス

多田朋史, 竹本整司, 細野秀雄

固体イオニクス討論会
第一原理計算と並列化動的モンテカルロ計算による原子スケールからの大規模長時間ダイナミクスに基づく固体イオニクス現象の理解に向けて

多田朋史

固体イオニクス討論会
遺伝的アルゴリズムと第一原理計算を用いた新規エレクトライド材料探索

多田朋史, ワンジュンジエ, 細野秀雄

コンピュータ化学会
SOFCアノード三相界面電極反応におけるドーパント依存性に関する第一原理計算

アルベルトイスカンダロフ, 多田朋史

第13回固体イオニクスセミナー
First-Principles Study on Essential role of Metal Hydrides for Ammonia Synthesis

T. Tada, T. Nakao, and H. Hosono

STAC10
First-Principles Study of Dopant Effect on Hydrogen Oxidation in Anode of Solid Oxide Fuel Cell

A. Iskandarov and T. Tada

SOFC-XV
Full Atomistic Kinetic Monte Carlo and First Principles study on Electromotive Force of SOFC with Direct Counting Approach

T. Tada

SOFC-XV
First-principles and multi-scale simulations for chemical reactions on surfaces and interfaces

T. Tada, A. Iskandarov, J. Wang, S. Takemoto

JSPS Core-to-Core 1st Workshop on Solid Oxide Interfaces for Faster Ion Transport (SOIFIT) Invited
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

多田朋史

日本化学会、第97春季年会 Invited

Professional Memberships

Works

Research Projects

Quantum computing for robust molecular identification by quantum tunneling

Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B), Grant-in-Aid for Scientific Research (B), Japan Society for the Promotion of Science, Apr, 2021 - Mar, 2024
固体電解質中の粒界イオン伝導に関する原子レベルでの構造・機構解析

科学研究費助成事業, 基盤研究(B), 日本学術振興会, 2019 - 2022
電子化物のコンセプトと応用の新展開

科学研究費助成事業, 基盤研究(S), 日本学術振興会, 2017 - 2022
電子化物のコンセプトと応用の新展開

科研費基盤研究(S), 文部科学省, 2017 - 2022

細野秀雄
pi-HUB: An international research network for promoting the "pi-Figuration" project

Grants-in-Aid for Scientific Research, Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area), Japan Society for the Promotion of Science, Nov, 2015 - Mar, 2020

Fukushima Takanori
第一原理計算からの気液固複合相ヘテロ界面の実在系非平衡シミュレーション

科学研究費助成事業, 挑戦的研究（萌芽）, 日本学術振興会, 2019 - 2020
イオン伝導性配位高分子を電解質に用いた燃料電池の研究開発

研究成果最適展開支援プログラム(A-STEP)シーズ育成タイプ, 科学技術振興機構, 2015 - 2020

北川進
イオン伝導性配位高分子を電解質に用いた燃料電池の研究開発

戦略的創造研究推進事業 (文部科学省), 文部科学省, 2015 - 2019
数理構造の抽出と保存を中心とした次世代エレクトロニクス材料設計基盤の創出

科学研究費助成事業, 基盤研究(B), 日本学術振興会, 2016 - 2018
数理構造の抽出と保存を中心とした次世代エレクトロニクス材料設計基盤の創出

科研費基盤研究(B), 文部科学省, 2016 - 2018

松尾宇泰
局在分子スピン操作のための外場制御型パイ造形の理論的設計

科学研究費助成事業, 新学術領域研究, 日本学術振興会, 2014 - 2018
局在分子スピン操作のための外場制御型パイ造形の理論的設計

科研費新学術領域（研究領域提案型）π造形, 文部科学省, 2014 - 2018

多田朋史
固体酸化物形燃料電池電極の材料・構造革新のためのマルチスケール連成解析基盤

戦略的創造研究推進事業 (文部科学省), 文部科学省, 2011 - 2016
固体酸化物形燃料電池電極の材料・構造革新のためのマルチスケール連成解析基盤

戦略的創造研究推進事業(CREST), 科学技術振興機構, 2011 - 2016

古山通久
密度汎関数法理論に基づく非平衡ナノスケール電気伝導ダイナミクス

科研費新学術領域（研究領域提案型）コンピューティクス, 文部科学省, 2010 - 2014

渡邉聡
非平衡第一原理計算を基盤とした電流密度計算による燃料電池メゾスケールモデリング

科学研究費助成事業, 若手研究(A,B), 日本学術振興会, 2010 - 2012
非平衡第一原理計算を基盤とした電流密度計算による燃料電池メゾスケールモデリング

科研費若手研究(B), 文部科学省, 2010 - 2012

多田朋史
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

科学研究費助成事業, 特定領域研究, 日本学術振興会, 2010 - 2011
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

科研費特定領域研究配列ナノ空間, 文部科学省, 2010 - 2011

山本貴博
走査プローブ顕微鏡によるナノスケール局所電気特性計測に関する理論解析

科学研究費助成事業, 基盤研究(B), 日本学術振興会, 2008 - 2010

Academic Activities

STAM (Science and Technology of Advanced Materials)

Review, evaluation

Apr, 2018
The 10th International Conference on the Science and Technology for Advance Ceramics (STAC-10)

Other

(Yokohama Japan), Aug 1, 2017 - Aug 3, 2017
日本化学会：新研究領域「ナノスケール分子デバイス」

Other

(Japan), Jan, 2010 - Jan, 2015
The 8th International Conference on the Science and Technology for Advance Ceramics (STAC-8)

Other

(Yokohama Japan), Jun 25, 2014 - Jun 27, 2014
The 7th International Conference on the Science and Technology for Advance Ceramics (STAC-7)

Other

(Yokohama Japan), Jun 19, 2013 - Jun 21, 2013
日本物理学会

Other

Jan, 2011 - Jan, 2013
日本物理学会領域９(表面界面･結晶成長)

Other

(Japan), May, 2010 - Apr, 2011

Profile Information

Research Interests

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Research History

Education

Committee Memberships

Papers

Misc.

Books and Other Publications

Presentations

Professional Memberships

Works

Research Projects

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