"Albert Iskandarova,Tomofumi Tada,Soshi Iimura,Hideo Hosono","Characteristic mechanism for fast H− conduction in LaH2.5O0.25",,"Acta Materialia",,"  230",,"  117825",2022,Mar.
"Keiga Fukui,Soshi Iimura,Albert Iskandarov,Tomofumi Tada,Hideo Hosono","Room-Temperature Fast H− Conduction in Oxygen-Substituted Lanthanum Hydride",,"J. AM. CHEM. SOC.",,"  144",,"  1523-1527",2022,Jan.
"Shingo Urata,Nobuhiro Nakamura,Tomofumi Tada,Aik Rui Tan,Rafael Gomez-Bombarelli,Hideo Hosono","Suppression of Rayleigh Scattering in Silica Glass by Codoping Boron and Fluorine: Molecular Dynamics Simulations with ForceMatching and Neural Network Potentials",,"J. Phys. Chem. C",,"  126",,"  2264?2275",2022,Jan.
"Shu Kanno,Tomofumi Tada,Takeru Utsumi,Kazuma Nakamura,Hideo Hosono","Electronic correlation strength of inorganic electrides from first principles",,"J. Phys. Chem. Lett.",,"Vol. 12",,"pp. 12020?12025",2021,Dec.
"Shu Kanno,Tomofumi Tada","Many-body calculations for periodic materials via restricted Boltzmann machine-based VQE",,"Quantum Science and Technology",,,,,2021,Apr.
"Shingo Urata,Nobuhiro Nakamura,Tomofumi Tada,Hideo Hosono","Molecular dynamics study on the co‐doping effect of Al 2 O 3 and fluorine to reduce Rayleigh scattering of silica glass",,"Journal of the American Ceramic Society",,,,,2021,Mar.
"Keiga Fukui,Soshi Iimura,Junjie Wang,Tomofumi Tada,Takashi Honda,Kazutaka Ikeda,Toshiya Otomo,Hideo Hoson","Stabilization Factor of Anion-Excess Fluorite Phase for Fast Anion Conduction",,"CHEM. MATER.",,"  33",,"  1867?1874",2021,Feb.
"Kun Li,Junjie Wang,Vladislav A. Blatov,Yutong Gong,Naoto Umezawa,Tomofumi Tada,Hideo Hosono,Artem R. Oganov","Crystal and electronic structure engineering of tin monoxide by external pressure",,"J Adv Ceram.",,"  10",,"  565?577",2021,
"Shingo Urata,Nobuhiro Nakamura,Kento Aiba,Tomofumi Tada,Hideo Hosono","How fluorine minimizes density fluctuations of silica glass: Molecular dynamics study with machine-learning assisted force-matching potential",,"Materials and Design",,"  197",,"  109210",2020,Oct.
"Yuya Tanaka,Kohei Oomura,Shintaro Fujii,Tomofumi Tada,Manabu Kiguchi,MUNETAKA AKITA","Single-Molecule Junction of a Cationic Rh(III) Polyyne Molecular Wire",,"Inorganic Chemistry",,,,,2020,Sept.
"Nanxi Miao,Junjie Wang,* Yutong Gong,Jiazhen Wu,Haiyang Niu,Shiyao Wang,Kun Li,Artem R. Oganov,* Tomofumi Tada,Hideo Hosono","Computational Prediction of Boron-Based MAX Phases and MXene Derivatives",,"chemistry of materials",,,"  32","  6947-6958",2020,July
"Tian-Nan Ye,Sang-Won Park,Yangfan Lu,Jiang Li,Masato Sasase,MasaakiKitano,Tomofumi Tada,Hideo Hosono","Vacancy-enabled N2 activation for ammonia synthesis on an Ni-loaded catalyst",,"NATURE",,"Vol. 583",,"pp. 391-395",2020,July
"Tomoya Itakura,Hiroshi Matsui,Tomofumi Tada,Susumu Kitagawa,Aude Demessence,Satoshi Horike","The role of lattice vibration in the terahertz region for proton conduction in 2D metal?organic frameworks",,"Chemical Science",,,,,2020,
"S. Kanno,T. Tada,T. Utsumi,K. Nakamura,H. Hosono","First principles study for a quantitative characterization of electrides  based on many-body Hamiltonian","Materials Research Meeting 2019",,,,,,2019,Dec.
"Tiannan Ye,Yangfan Lu,Zewen Xiao,Jiang Li,Takuya Nakao,Hitoshi Abe,Yasuhiro Niwa,Masaaki Kitano,Tomofumi Tada,Hideo Hosono","Palladium-bearing intermetallic electride as an efficient and stable catalyst for Suzuki cross-coupling reactions",,"Nature Communications",,"Vol. 10",,"pp. 5653",2019,Dec.
"Takuya Nakao,Tomofumi Tada,HIDEO HOSONO","Transition Metal-doped Ru Nanoparticles Loaded on Metal Hydrides for Efficient Ammonia Synthesis from First Principles",,"The Journal of Physical Chemistry C",,"vol. 124","no. 2","pp. 1529-1534",2019,Dec.
"Takuya Nakao,Tomofumi Tada,HIDEO HOSONO","First-Principles and Microkinetic Study on the Mechanism for Ammonia Synthesis Using Ru-Loaded Hydride Catalyst",,"The Journal of Physical Chemistry C",,"vol. 124","no. 3","pp. 2070-2078",2019,Dec.
"Takuya Nakao,Tomofumi Tada,Hideo Hosono","Ammonia synthesis mechanism using Ru-loaded hydride catalyst from first principles","Materials Research Meeting 2019",,,,,,2019,Dec.
"Yuya Tanaka,Reo Kawano,Tomofumi Tada,Shintaro Fujii,Manabu Kiguchi,MUNETAKA AKITA","Single-Molecule Conductance Study of Organometallic Molecular Wires with Acene Linkers",,,,,,,2019,Sept.
"Takuya Nakao,Tomofumi Tada,Hideo Hosono","Ammonia synthesis mechanism using Ru/Ca2NH catalyst; A first-principles study","The 11th International Conference on the Science and Technology for Advanced Ceramics (STAC11)",,,,,,2019,July
"Keiga Fukui,Soshi Iimura,Tomofumi Tada,Satoru Fujitsu,Masato Sasase,Hiromu Tamatsukuri,Takashi Honda,Kazutaka Ikeda,Toshiya Otomo,HIDEO HOSONO","Characteristic fast H− ion conduction in oxygen-substituted lanthanum hydride",,"Nature Communications",,"  10",,"  2578-1-8",2019,June
"田中裕也,加藤佑弥,多田朋史,藤井慎太郎,木口学,穐田宗隆","共有結合性分子接合を形成する有機金属分子ワイヤーの単分子電気伝導度計測","第43回 有機電子移動化学討論会",,,,,,2019,June
"Junjie Wang,Tian-Nan Ye,Yutong Gong,Jiazhen Wu,Nanxi Miao,Tomofumi Tada,Hideo Hosono","Discovery of hexagonal ternary phase Ti?InB? and its evolution to layered boride TiB",,"Nature Communications",,"  10",,"  2284-1-8",2019,May
"田中裕也,加藤佑弥,多田朋史,藤井慎太郎,木口学,穐田宗隆","有機金属ポリイン分子ワイヤーの単分子電気伝導度計測",,,,,,,2019,Mar.
"石割 文崇,田子博睦,多田 朋史,藤井 慎太郎,木口 学,福島 孝典","1,8,13位にチオール含有置換基を持つ三脚型トリプチセン類の合成と表面吸着挙動","第99回日本化学会春季年会",,,,,,2019,Mar.
"F. Ishiwari,G. Nascimbeni,E. Sauter,H. Tago,Y. Shoji,S. Fujii,M. Kiguchi,T. Tada,M. Zharnikov,E. Zojer,T. Fukushima","Triptycene Tripods for the Formation of Highly Uniform and Densely Packed Self-Assembled Monolayers with Controlled Molecular Orientation",,"Journal of the American Chemical Society",,"Vol. 141","Issue 14","Page 5995?6005",2019,Mar.
"Tomofumi Tada,Fumitaka Ishiwari,Yoshiaki Shoji,Takanori Fukushima","First-Principles Study of the Adsorption Behavior of Triptycene Molecular Tripods on Au(111): Site-Selectivity and Unambiguous Molecular Orientation",,"The Journal of Physical Chemistry C",,"Vol. 123","Issue 7","Page 4401?4406",2019,Feb.
"田中裕也,加藤佑弥,多田朋史,藤井慎太郎,木口学,穐田宗隆","メタラポリイン骨格を有する高電気伝導性単分子ワイヤーの開発","第28回 日本MRS年次大会",,,,,,2018,Dec.
"Tomofumi Tada","Atomistic flow to Macroscopic flow: Nernst’s potential from atomistic kinetic Monte Carlo with first principles","5th Solid-state Chemistry and Ionics workshop",,,,,,2018,Sept.
"田中裕也,加藤佑弥,藤井慎太郎,多田朋史,木口学,穐田宗隆","共有結合性分子ジャンクションを形成する有機金属分子ワイヤーの単分子電気伝導度計測",,,,,,,2018,Sept.
"大澤佐保,田子博睦,石割文崇,庄子良晃,多田朋史,藤井慎太郎,木口 学,福島孝典","固体表面で機能団の垂直配向を可能にするトリプチセンを 基盤とした分子三脚の開発","第67回高分子討論会",,,,,,2018,Sept.
"Yangfan Lu,Junjie Wang,Jiang Li,Jiazhen Wu,Shu Kanno,Tomofumi Tada,Hideo Hosono","Realization of Mott-insulating electrides in dimorphic Yb?Sb?",,"Physical Review B",,,,,2018,Sept.
"Tomofumi Tada","Theoretical study on electron transport through organometallic molecular wires","International Conference on Coordination Chemistry 2018 (ICCC2018)",,,,,,2018,Aug.
"多田朋史","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","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","応用物理学会シリコンテクノロジー分科会",,,"No. 209","  2-8",2018,July
"Y. Tanaka,Y. Kato,T. Tada,S. Fujii,M. Kiguchi,M. Akita","“Doping” of Polyyne with An Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire”",,,,"  140","  32","  10080-10084",2018,July
"Tomofumi Tada","Full Atomistic Kinetic Monte Carlo and First Principles study on Electromotive Force of SOFC with direct counting Approach","SOFC-XV",,,,,,2018,July
"Tomofumi Tada","Full Atomistic Kinetic Monte Carlo with Direct Counting Approach for Ion Dynamics in Electrochemical Cells","233rd ECS Meeting",,,,,,2018,May
"Tomofumi Tada","Wave-packet multi-scale simulations based on a non-linear tight-binding Hamiltonian for carrier transport in π-conjugated polymers",,"Mater. Chem. Front.",,"Vol. 2",,"  1351-1359",2018,May
"Takaya Ogawa,Yasukazu Kobayashi,Hiroshi Mizoguchi,Masaaki Kitano,Hitoshi Abe,Tomofumi Tada,Yoshitake Toda,Yasuhiro Niwa,Hideo Hosono","High Electron Density on Ru in Intermetallic YRu?: The Application to Catalyst for Ammonia Synthesis",,"J. Phys. Chem. C",,"Vol. 122",,"pp. 10468?10475",2018,Apr.
"Tomofumi Tada","Full atomistic kinetic Monte Carlo with direct counting approach for electromotive force of electrochemical cells","Advanced Energy Materials Congress 2018 (AEMC2018)",,,,,,2018,Mar.
"多田朋史","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","日本化学会第98回春季年会",,,,,,2018,Mar.
"Albert M. Iskandarov,Tomofumi Tada","Dopant driven tuning of hydrogen oxidation mechanism at the pore/nickel/zirconia triple phase boundary",,"Phys. Chem. Chem. Phys.",,"Vol. 20",,"  12574-12588",2018,Mar.
"Kazuhisa Kishida,Masaaki Kitano,Yasunori Inoue,Masato Sasase,Takuya Nakao,Tomofumi Tada,Hitoshi Abe,Yasuhiro Niwa,Toshiharu Yokoyama,Michikazu Hara,Hideo Hosono","Large Oblate Hemispheroidal Ruthenium Particles Supported on Calcium Amide as Efficient Catalysts for Ammonia Decomposition",,"Chem. Eur. J.",,"Vol. 24",,"pp. 7976-7984",2018,Mar.
"Yutong Gong,Jiazhen Wu,Masaaki Kitano,Junjie Wang,Tian-Nan Ye,Jiang Li,Yasukazu Kobayashi,Kazuhisa Kishida,Hitoshi Abe,Yasuhiro Niwa,Hongsheng Yang,Tomofumi Tada,Hideo Hosono","Ternary intermetallic LaCoSi as a catalyst for N? activation",,"Nat. Catal.",,"  1",,"  178-185",2018,Mar.
"Masaaki Kitano,Yasunori Inoue,Masato Sasase,岸田和久,Yasukazu Kobayashi,Kohei Nishiyama,Tomofumi Tada,Shigeki Kawamura,Toshiharu Yokoyama,Michikazu Hara,Hideo Hosono","Self-organized Ruthenium?Barium Core?Shell Nanoparticles on a Mesoporous Calcium Amide Matrix for Efficient Low-Temperature Ammonia Synthesis",,"Angew. Chem. Int. Ed",,"  57",,"  1-6",2018,Jan.
"西山航平,多田朋史","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","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",,,,,,2018,Jan.
"菅野志優,多田朋史","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","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",,,,,,2018,Jan.
"M. Iwane,T. Tada,T. Osuga,T. Murase,M. Fujita,T. Nishino,M. Kiguchi,S. Fujii","Controlling Stacking Order and Charge Transport in ?-Stacks of Aromatic Molecules Based on Surface Assembly",,"Chem. Commun.",,,,,2018,
"多田朋史,竹本整司,細野秀雄","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","第43回固体イオニクス討論会",,,,,,2017,Dec.
"多田朋史","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","第43回固体イオニクス討論会",,,,,,2017,Dec.
"Tomofumi Tada,Junjie Wang,Hideo Hosono","First principles evolutionary search for new electrides along the dimensionality of anionic electrons",,"Journal of Computer Chemistry-Japan",,"Vol. 16",,"  135-138",2017,Dec.
"Ye Tiannan,Yangfan Lu,jiang li,Takuya Nakao,Hongsheng Yang,Tomofumi Tada,Masaaki Kitano,HIDEO HOSONO","Copper-Based Intermetallic Electride Catalyst for Chemoselective Hydrogenation Reactions",,"J. AM. CHEM. SOC.",,"vol. 139","no. 47","pp. 17089?17097",2017,Nov.
"Junjie Wang,Kota Hanzawa,Hidenori Hiramatsu,Junghwan Kim,Naoto Umezawa,Koki Iwanaka,Tomofumi Tada,Hideo Hosono","Exploration of Stable Strontium Phosphide-Based Electrides: Theoretical Structure Prediction and Experimental Validation",,"Journal of the American Chemical Society","American Chemical Society","Vol. 139","No. 44","pp. 15668?15680",2017,Oct.
"多田朋史,ワンジュンジエ,細野秀雄","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","日本コンピュータ化学会",,,,,,2017,Oct.
"田中裕也,加藤佑弥,藤井慎太郎,多田朋史,木口学,穐田宗隆","末端に金アセチリドを修飾した有機金属ポリイン分子ワイヤーの単分子電気伝導度測定","第7回 CSJ化学フェスタ",,,,,,2017,Oct.
"アルベルト・イスカンダロフ,多田朋史","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","第13回固体イオニクスセミナー",,,,,,2017,Sept.
"加藤佑弥,田中裕也,藤井慎太郎,多田朋史,木口学,穐田宗隆","末端に金アセチリドを修飾した有機金属分子ワイヤーの単分子電気伝導度測定","第67回 錯体化学討論会",,,,,,2017,Sept.
"中尾琢哉,多田朋史,北野政明,細野秀雄","第一原理計算を用いた Ru/[Ca2N]+H−触媒による アンモニア合成の反応経路解析","第120回触媒討論会",,,,,,2017,Sept.
"Hitoshi Abe,Yasuhiro  Niwa,Masaaki Kitano,yasunori inoue,Masato Sasase,Takuya Nakao,Tomofumi Tada,Toshiharu Yokoyama,MICHIKAZU HARA,HIDEO HOSONO","Anchoring Bond between Ru and N Atoms of Ru/Ca2NH Catalyst: Crucial for the High Ammonia Synthesis Activity",,"The Journal of Physical Chemistry C",,"vol. 121","no. 38","pp. 20900?20904",2017,Sept.
"Takuya Nakao,Tomofumi Tada,HIDEO HOSONO","First-principles study on Ru-based intermetallic alloy loaded on hydrides for efficient ammonia synthesis","E-MRS 2017 Fall Meeting",,,,,,2017,Sept.
"Tomofumi Tada,Takuya Nakao,Hideo Hosono","First-Principles Study on Essential role of Metal Hydrides for Ammonia Synthesis","The 10th International Conference on the Science and Technology for Advanced Ceramic (STAC-10)",,,,,,2017,Aug.
"Takuya Nakao,Tomofumi Tada,Masaaki Kitano,Masato Sasase,Hideo Hosono","First-Principles and Experimental Study on the Descriptors for Controlling Metal Particle Sizes on Supports","The 10th International Conference on the Science and Technology for Advanced Ceramic (STAC-10)",,,,,,2017,Aug.
"Takuya Nakao,Tomofumi Tada,Masaaki Kitano,Masato Sasase,HIDEO HOSONO","Guideline for the control of Ru particles sizes on supports based on the chemical bond between metal and support's anion","13th European Congress on Catalysis (EUROPACAT 2017)",,,,,,2017,Aug.
"Masaaki Kitano,yasunori inoue,Takuya Nakao,Tomofumi Tada,MICHIKAZU HARA,HIDEO HOSONO","Ammonia synthesis over Ru-loaded Ca2NH: Effect of H- ion on the catalytic performance","13th European Congress on Catalysis (EUROPACAT 2017)",,,,,,2017,Aug.
"Shixue Liu,Arief Mohammad,Kazuya Mihara,Takayoshi Ishimoto,Tomofumi Tada,Michihisa Koyama","Predictive Microkinetic Model for Solid Oxide Fuel Cell Patterned Anode: Based on an Extensive Literature Survey and Exhaustive Simulations",,"J. Phys. Chem. C",,"Vol. 121",,"  19069−19079",2017,Aug.
"S. Liu,L. C. Saha,A. M. Iskandarovb,Z. Jiao,S. Hara,T. Ishimoto,Tomofumi Tada,Y. Umeno,N. Shikazono,S. Matsumura,M. Koyama","Multi-Scale, Multi-Physics Approach for Solid Oxide Fuel Cell Anode Reaction",,"ECS Transactions",,"Vol. 78",,"  2815-2822",2017,July
"Albert Iskandarov,Tomofumi Tada","First-Principles Study of Dopant Effect on Hydrogen Oxidation in Anode of Solid Oxide Fuel Cell","SOFC-XV",,,,,,2017,July
"Junjie Wang,Mohammad Khazaei,Masao Arai,Naoto Umezawa,Tomofumi Tada,Hideo Hosono","Semimetallic Two-Dimensional TiB12: Improved Stability and Electronic Properties Tunable by Biaxial Strain",,"Chemistry of Materials","American Chemical Society","Vol. 29","No. 14","pp. 5922-5930",2017,July
"Tomofumi Tada","Full Atomistic Kinetic Monte Carlo and First Principles study on Electromotive Force of SOFC with Direct Counting Approach",,"ECS Transactions",,"Vol. 78",,"  2835-2844",2017,July
"Albert M. Iskandarov,Tomofumi Tada","First-Principles Study of Dopant Effect on Hydrogen Oxidation in Anode of Solid Oxide Fuel Cell",,"ECS Transactions",,"Vol. 78",,"  1469-1475",2017,July
"Tomofumi Tada,Albert Iskandarov,J. Wang,S. Takemoto","First-principles and multi-scale simulations for chemical reactions on surfaces and interfaces","JSPS Core-to-Core 1st Workshop on Solid Oxide Interfaces for Faster Ion Transport (SOIFIT)",,,,,,2017,June
"Takeshi Inoshita,Seiji Takemoto,Tomofumi Tada,Hideo Hosono","Surface electron states on the quasi-two-dimensional excess-electron compounds Ca?N and Y?C",,"Physical Review B",,,"  95","  165430-1-9",2017,Apr.
"Shunsuke Furukawa,Yuki Suda,Junji Kobayashi,Takayuki Kawashima,Tomofumi Tada,Shintaro Fujii,Manabu Kiguchi,Masaichi Saito","Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces",,"J. Am. Chem. Soc.",,"Vol. 139",,"  5787-5792",2017,Apr.
"Tsukasa Futagoishi,Tomoko Aharen,Tatsuhisa Kato,Azusa Kato,Toshiyuki Ihara,Tomofumi Tada,Michihisa Murata,Atsushi Wakamiya,Hiroshi Kageyama,Yoshihiko Kanemitsu,Yasujiro Murata","A Stable, Soluble, and Crystalline Supramolecular System with a Triplet Ground State",,"Angew. Chem.",,"Vol. 129",,"  4325-4329",2017,Mar.
"多田朋史","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","日本化学会第97春季年会",,,,,,2017,Mar.
"Yangfan Lu,Tomofumi Tada,Yoshitake Toda,Shigenori Ueda,Jiazhen Wu,Jiang Li,Koji Horiba,Hiroshi Kumigashira,Yaoqing Zhang,Hideo Hosono","Interlayer states arising from anionic electrons in the honeycomb-lattice-based compounds AeAlSi (Ae = Ca, Sr, Ba)",,"Phys. Rev. B",,"Vol. 95",,"pp. 125117",2017,
"Tomofumi Tada","Orbital Rule for Electron Transport of Molecular Junctions",,"Single-Molecule Electronics",,,,,2016,Dec.
"Tomofumi Tada","Multiscale simulation for carrier mobility of micro-meter scale pi-conjugated molecular wire","ICSPM24",,,,,,2016,Dec.
"中尾琢哉,多田朋史,北野政明,笹瀬雅人,細野秀雄","金属担体間化学結合に基づいた担持Ru粒子サイズの制御指針","第26回日本MRS年次大会",,,,,,2016,Dec.
"中尾琢哉,多田朋史,北野政明,細野秀雄","第一原理計算による[Ca2N]+H−担体の表面水素欠陥生成およびRuへの電子注入効果の解析","新学術領域π造形科学第三回若手会",,,,,,2016,Nov.
"Takuya Nakao,Tomofumi Tada,Masaaki Kitano,HIDEO HOSONO","Catalytic Role of Anionic Electron and H- in Ammonia Synthesis using Ru-Loaded [Ca2N]+H- from First-Principles","2016 MRS Fall Meeting & Exibit",,,,,,2016,Nov.
"中尾琢哉,北野政明,多田朋史,原亨和,細野秀雄","Ru担持[Ca2N]+H-触媒を用いたアンモニア合成における担体表面水素欠陥の働きに関する第一原理計算","第118回触媒討論会",,,,,,2016,Sept.
"田中裕也,杉本歌穂,加藤佑弥,藤井慎太郎,多田朋史,木口学,穐田宗隆","ルテニウムアセチリド骨格を有する有機金属分子ワイヤーの単分子電気伝導度","第63回 有機金属化学討論会",,,,,,2016,Sept.
"多田朋史,アルベルト イスカンダロフ","第一原理計算とモンテカルロ計算によるNi/YSZアノード活性に関するドーパント依存性の理論的研究","第12回固体イオニクスセミナー",,,,,,2016,Sept.
"Tomofumi Tada","THEORETICAL STUDY ON A SINGLE MOLECULAR SPIN CONTROL AND DETECTION FOR QUANTUM INFORMATION PROCESSING","OCUIC2016",,,,,,2016,Aug.
"Takuya Nakao,Tomofumi Tada,Masaaki Kitano,Masato Sasase,HIDEO HOSONO","The Key Indicator for the Control of Metal Particle Sizes on Supports from First-Principles and Experimental Observation",,"J. Phys. Chem. C","American Chemical Society","Vol. 120",,"pp. 21879?21887",2016,Aug.
"Manabu Kiguchi,Takuya Takahashi,Yuta Takahashi,Yoshihiro Yamauchi,Takashi Murase,Makoto Fujita,Tomofumi Tada,Satoshi Watanabe","Electron Transport through Single Molecules of Aromatic Stacks Enclosed in Self-assembled Cages",,"Angew. Chem. Int. Ed.",,"Vol. 50",,"pp. 5708-5711",2016,June
"藤井慎太郎,小本祐貴,多田朋史,大須賀孝史,村瀬隆史,藤田誠,木口学","パイスタック分子接合の多彩な伝導特性",,"表面科学","The Surface Science Society of Japan","Vol. 37","No. 8","pp. 342-347",2016,May
"Yuki Komoto,Shintaro Fujii,Hisao Nakamura,Tomofumi Tada,Tomoaki Nishino,Manabu Kiguchi","Resolving metal-molecule interfaces at single-molecule junctions",,"Scientific Reports",,"Vol. 6",,"  26606",2016,May
"Tomofumi Tada,Kazunari Yoshizawa","Recent Topics on Orbital Rule for Single Molecular Conductance","Fujihara Seminar-70",,,,,,2016,Apr.
"Masaaki Kitano,yasunori inoue,Hiroki Ishikawa,Kyosuke Yamagata,Takuya Nakao,Tomofumi Tada,Satoru Matsuishi,Toshiharu Yokoyama,MICHIKAZU HARA,HIDEO HOSONO","Essential role of hydride ion in ruthenium-based ammonia synthesis catalysts",,"Chem. Sci.",,"Vol. 7",,"pp. 4036-4043",2016,Apr.
"中尾琢哉,多田朋史,北野政明,細野秀雄","担体上のRuの粒子サイズに対するRuと担体表面原子との化学結合による影響","日本セラミックス協会 2016年年会",,,,,,2016,Mar.
"Kaho Sugimoto,Yuya Tanaka,Shintaro Fujii,Tomofumi Tada,Manabu Kiguchi,Munetaka Akita","Organometallic molecular wires as versatile modules for energy-level alignment of the metal-molecule-metal junction",,"Chemical Communications",,"Vol. 52",,"  5796-5799",2016,Mar.
"Seiji Takemoto,Tomofumi Tada","Zirconium-peroxo embedded in non-stoichiometric yttria stabilized zirconia (110) from first-principles",,"Solid State Ionics",,"Vol. 285",,"  215-221",2016,Jan.
"Takayoshi Ishimoto,Yumi Ito,Tomofumi Tada,Ryo Oike,Takashi Nakamura,Koji Amezawa,Michihisa Koyama","Theoretical study on temperature effect of electronic structure and spin state in LaCoO3 by using density functional theory",,"SOLID STATE IONICS",,"Vol. 285",,"  195-201",2016,Jan.
"Yangfan Lu,Jiang Li,Tomofumi Tada,Yoshitake Toda,Shigenori Ueda,Toshiharu Yokoyama,Masaaki Kitano,Hideo Hosono","Water Durable Electride Y5Si3: Electronic Structure and Catalytic Activity for Ammonia Synthesis",,"J. Am. Chem. Soc. (Commun.)",,"Vol. 138",,"pp. 3970-3973",2016,
"Imachi, H.,Yokoyama, S.,Kaji, T.,Abe, Y.,Tomofumi Tada,Hoshi, T.","One-hundred-nm-scale electronic structure and transport calculations of organic polymers on the K computer",,"AIP Conference Proceedings",,"Vol. 1790",,,2016,
"Y. Komoto,S. Fujii,H. Nakamura,T. Tada,M. Kiguchi","Thermopower and current-voltage measurement of1,4-benzenedithiol-single molecular junctions","ECOSS32",,,,,,2016,
"小本祐貴,藤井慎太郎,中村恒夫,多田朋史,木口学","ベンゼンジチオール単分子接合の電流-電圧特性計測及び熱起電力計測","日本化学会第96春季年会",,,,,,2016,
"Min Liao,Seiji Takemoto,Zewen Xiao,Yoshitake Toda,Tomofumi Tada,Shigenori Ueda,Toshio Kamiya,Hideo Hosono","Difficulty of carrier generation in orthorhombic PbO",,"J. Appl. Phys",,"Vol. 119",,"pp. 165701-1 - 7",2016,
"Tomofumi Tada","Hybrid density functional study on electron transport though π-stack molecular junctions for high conductance","Pacifichem2015",,,,,,2015,Dec.
"多田朋史","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","High Performance Computing Chemistry (HPCC) -2015-",,,,,,2015,Dec.
"Tomofumi Tada,Takeshi Inoshita,Hideo Hosono","High-throughput ab initio study for 2D electride materials?","Pacifichem2015",,,,,,2015,Dec.
"多田朋史","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","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",,,,,,2015,Nov.
"Tomofumi Tada,Satoru Matsuishi,Hideo Hosono","Ionic diffusion in hydride conductors from first principles and kinetic Monte Carlo simulations","The 9th International Conference on the Science and Technology for Advanced Ceramics (STAC-9)",,,,,,2015,Oct.
"Tomofumi Tada,Kazunari Yoshizawa","Molecular design of electron transport with orbital rule: toward conductance-decay free molecular junctions",,"Physical Chemistry Chemical Physics",,"Vol. 17",,"  32099-32110",2015,Oct.
"Tomofumi Tada","Wave packet scattering simulations for spin dependent transport in molecular-spin junctions","CT-NanoSim2015",,,,,,2015,Sept.
"多田朋史","第一原理計算からの固体酸化物形燃料電池材料設計に向けて","第11回固体イオニクスセミナー",,,,,,2015,Aug.
"Takayoshi Ishimoto,K. Sato,Tomofumi Tada,Kouji Amezawa,Michihisa Koyama","Theoretical Study on Oxygen Dissociation Reaction on LaSrCoO3",,"ECS Transactions",,"Vol. 68",,"  651-655",2015,July
"Seiji Takemoto,Tomofumi Tada","First-principles study of zirconium-peroxo in oxygen-rich yttria stabilized zirconia (110)","SOFC XIV",,,,,,2015,July
"Tomofumi Tada","Systematic modeling for triple phase boundary of  Ni/ZrO2 SOFC anode from first principles","SOFC XIV",,,,,,2015,July
"Tomofumi Tada","Systematic modeling for triple phase boundary of Ni/ZrO2 SOFC anode from first principles",,"ECS Transactions",,"Vol. 68",,"  2875-2885",2015,July
"Seiji Takemoto,Tomofumi Tada","First-principles study of surface peroxo in oxygen-rich yttria stabilized zirconia (110)",,"ECS Transactions",,"Vol. 68",,"  3203-3207",2015,July
"多田朋史","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","第28期CAMMフォーラム",,,,,,2015,May
"Shintaro Fujii,Tomofumi Tada,Yuki Komoto,Takafumi Osuga,Takashi Murase,Makoto Fujita,Manabu Kiguchi","Rectifying Electron-Transport Properties through Stacks of Aromatic Molecules Inserted into a Self-Assembled Cage",,"Journal of the American Chemical Society",,"Vol. 137",,"  5939−5947",2015,Apr.
"多田朋史","πスタック単分子架橋系の量子輸送計算","日本化学会第95春季年会",,,,,,2015,Mar.
"M. Kiguchi,S. Fujii,T. Tada,S. Watanabe","Electron Transport Through Single π-Stacked Systems And Ionic Wires","Asian Academic Seminar",,,,,,2015,
"多田朋史,福島孝典","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","第8回物性科学領域横断研究会",,,,,,2014,Nov.
"竹本整司,多田朋史","第一原理計算及び多変量解析によるYSZドーパント分布解析","第75回応用物理学会秋季学術講演会",,,,,,2014,Sept.
"多田朋史,竹本整司,松石聡,細野秀雄","ハイスループット第一原理計算による二次元エレクトライド探索","第75回応用物理学会秋季学術講演会",,,,,,2014,Sept.
"Tomofumi Tada,Seiji Takemoto,Satoru Matsuishi,Hideo Hosono","High-throughput ab initio study for two dimensional electride materials","The Eighth International Conference on the Science and Technology for Advanced Ceramics (STAC8)",,,,,,2014,June
"Seiji Takemoto,Tomofumi Tada","Surface Stability of Non-stoichiometric cubic ZrO2 and YSZ from First Principles calculations","The Eighth International Conference on the Science and Technology for Advanced Ceramics (STAC8)",,,,,,2014,June
"多田朋史","高移動度分子ワイヤ設計のための分子軌道理論と量子波束散乱計算","日本化学会第94春季年会",,,,,,2014,Mar.
"多田朋史","メソスケール動的モンテカルロによるNi-YSZ燃料極三相界面モデリング","第10回国際水素・燃料電池展 FC EXPO 2014",,,,,,2014,Feb.
"Bo Xiao,Tingkun Gu,Tomofumi Tada,Satoshi Watanabe","Conduction paths in Cu/amorphous-Ta2O5/Pt atomic switch: First-principles studies",,"Journal of Applied Physics",,"Vol. 115",,"  034503",2014,Jan.
"多田朋史,竹本整司,松石聡,細野秀雄","ハイスループット第一原理計算による二次元エレクトライドの材料探索","セラミックス基礎科学討論会",,,,,,2014,Jan.
"藤井慎太郎,小本祐貴,金相殷,木口学,多田朋史,大須賀孝史,村瀬隆史,藤田誠","ヘテロ積層したパイスタック分子の整流特性","第８回分子科学討論会2014",,,,,,2014,
"Tomofumi Tada,Seiji Takemoto,Seiji Takemoto,Hideo Hosono","High-Throughput ab Initio Screening for Two-Dimensional Electride Materials",,"Inorg. Chem.",,"Vol. 53",,"pp. 10347-10358",2014,
"竹本整司,多田朋史","第一原理計算によるNi/YSZ界面の安定","SOFC研究会",,,,,,2013,Dec.
"多田朋史","Ni/Gas/YSZ三相界面における電気二重層と酸素拡散挙動に関する動的モンテカルロシミュレーション","SOFC研究会",,,,,,2013,Dec.
"Tomofumi Tada,Naoki Watanabe","Parallelized Meso-Scale Kinetic Monte Carlo Simulations for  SOFC Characterization","SOFC XIII",,,,,,2013,Oct.
"Tomofumi Tada,Naoki Watanabe","Parallelized Meso-Scale Kinetic Monte Carlo Simulations for SOFC Characterization",,"ECS Transactions",,"Vol. 57","No. 1","  2437-2447",2013,Oct.
"Yoshikazu Ito,K. Takai,Akira Miyazaki,V. Sivamurugan,M. Kiguchi,Y. Ogawa,N. Nakamura,S. Valiyaveettil,T. Tada,S. Watanabe,T. Enoki","Anomalous metallic-like transport of Co-Pd ferromagnetic nanoparticles cross-linked with π-conjugated molecules having a rotational degree of freedom",,"PCCP",,"Vol. 16",,"  288-296",2013,Oct.
"Tomofumi Tada,Seiji Takemoto","FIRST-PRINCIPLES AND KINETIC MONTE CARLO SIMULATION ON TRIPLE PHASE BOUNDARY OF SOLID OXIDE FUEL CELL ANODE","Innovative Materials for Processes in Energy Systems 2013 (IMPRES2013)",,,,,,2013,Sept.
"多田朋史","第一原理計算と動的モンテカルロ法によるSOFC三相界面反応場設計のためのマルチスケールシミュレーション","第112回触媒討論会",,,,,,2013,Sept.
"多田朋史,渡辺尚貴","開放系並列化動的モンテカルロ計算による燃料電池の界面設計","日本物理学会2013年秋季大会",,,,,,2013,Sept.
"竹本整司,多田朋史","第一原理計算によるNi/YSZ界面構造に依存した化学/物理的な特性解析","日本物理学会2013年秋季大会",,,,,,2013,Sept.
"Tomofumi Tada,Naoki Watanabe","Parallel Kinetic Monte Carlo Simulation on Ionic Migrations and Chemical Reactions in Solid Oxide Fuel Cells","The 12th Asia Pacific Physics Conference of AAPPS (APPC12)",,,,,,2013,July
"Tomofumi Tada","Electronic Structures of Ni(111)/ZrO2(111) and Ni(113)/ZrO2(200) Interfaces at a reduced condition for the Solid Oxide Fuel Cell application","Seventh International Conference of Science and Technology of Advanced Ceramics (STAC7)",,,,,,2013,June
"古山通久,河野晴彦,小倉鉄平,石元孝佳,松村 晶,原祥太郎,多田朋史,梅野宜崇,鹿園直樹","固体酸化物形燃料電池電極高性能化に向けたマルチスケールアプローチ","第20回燃料電池シンポジウム",,,,,,2013,May
"Jun Terao,Akihisa Wadahama,Akitoshi Matono,Tomofumi Tada,Satoshi Watanabe,Shu Seki,Tetsuaki Fujihara,Yasushi Tsuji","Design principle for increasing charge mobility of pi-conjugated polymers using regularly localized molecular orbitals",,"Nature Communications",,"Vol. 4",,"  1691",2013,Apr.
"M. Kiguchi,J. Inatomi,Yuuta Takahashi,Ryota Tanaka,T. Osuga,T. Murase,M. Fujita,T. Tada,S. Watanabe","Highly Conductive [3×n] Gold-Ion Clusters Enclosed within Self-Assembled Cages",,,,"Vol. 52","  24","  6202?6205",2013,Apr.
"石元孝佳,伊藤諭美,多田朋史,雨澤浩史,古山通久","LaCoO3内殻励起スペクトルの温度依存性に関する理論解析","電気化学会第81回大会",,,,,,2013,Mar.
"Wei Liu,Kenji Sasaoka,Takahiro Yamamoto,Tomofumi Tada,Satoshi Watanabe","Inelastic transient electrical currents and phonon heating in a single-level quantum dot system",,"Journal of Applied Physics",,"Vol. 113",,"  123701",2013,Mar.
"多田朋史","固体酸化物形燃料電池のマルチスケール計算",,,,,,,2013,Mar.
"Tomofumi Tada,Naoki Watanabe,Satoshi Watanabe","First principles calculations and kinetic Monte Carlo simulations for chemical reaction analysis at the Ni/H2/YSZ triple phase boundary","International symposium on Simulations and Measurements for Electrochemistry in Solid Oxide Fuel Cells 2013 (ISSM-SOFC2013)",,,,,,2013,Mar.
"多田朋史","πスタック分子架橋の伝導計算と分子接合設計","日本化学会第93春季年会",,,,,,2013,Mar.
"Tomofumi Tada,Satoshi Watanabe","Kinetic Monte Carlo Study on oxygen migrations and chemical reactions in Ni/YSZ SOFC anode","JSPS Asian Core Program: SNU-UT Workshop on Oxide Systems for Energy & Electric Applications",,,,,,2013,Jan.
"Shusuke Kasamatsu,Tomofumi Tada,Satoshi Watanabe","Parallel-sheets model analysis of space charge layer formation at metal/ionic conductor interfaces",,"Solid State Ionics",,"Vol. 226",,"  62-70",2012,Sept.
"Wei Liu,Kenji Sasaoka,Tkahiro Yamamoto,Tomofumi Tada,Satoshi Watanabe","Elastic Transient Energy Transport and Energy Balance in a Single-Level Quantum Dot System",,"Japanese Journal of Applied Physics",,"Vol. 51",,"  094303",2012,Aug.
"Manabu Kiguchi,Shigeto Nakashima,Tomofumi Tada,Satoshi Watanabe,Susumu Tsuda,Yasushi Tsuji,Jun Terao","Single Molecule Conductance of π-Conjugated Rotaxane: New Method for Measuring Stipulated Electric Conductance of π-Conjugated Molecular Wire Using STM Break Junction",,"Small",,"Vol. 8","  5","pp. 726-730",2012,Jan.
"Tomofumi Tada","Quantum transport and quantum information processing in single molecular junctions",,"Quantum Chemistry -Molecules for Innovations-","InTec",,,,2012,
"S Kasamatsu,T Tada,S Watanabe","Theoretical analysis of space charge layer formation at metal/ionic conductor interfaces",,"Solid State Ionics",,"Vol. 183",,"pp. 20-25",2011,
"Tomofumi Tada,Takahiro Yamamoto,Satoshi Watanabe","Molecular orbital concept on spin-flip transport in molecular junctions",,"Theoretical Chemistry Accounts",,"Vol. 130",,"pp. 775-788",2011,
"Manabu Kiguchi,Takuya Takahashi,Yuta Takahashi,Yoshihiro Yamauchi,Takashi Murase,Makoto Fujita,Tomofumi Tada,Satoshi Watanabe","Electron Transport through Single Molecules of Aromatic Stacks Enclosed in Self-assembled Cages","ECOSS28",,,,,,2011,
"Arihiro Tawara,Tomofumi Tada,Satoshi Watanabe","Effects of Molecular Dynamics on Electrical Conductance of Single Molecular Junction in Aqueous Solution: First Principles Calculations",,"e-Journal of Surface Science and Nanotechnology",,"Vol. 8",,"pp. 38-43",2010,
"TK Gu,T Tada,S Watanabe","Conductive Path Formation in the Ta2O5 Atomic Switch: First-Principles Analyses",,"Acs Nano",,"Vol. 4",,"pp. 6477-6482",2010,
"Shusuke Kasamatsu,Tomofumi Tada,Satoshi Watanabe","First Principles Study of Oxygen Vacancies Near Nickel/Zirconia Interface",,"e-Journal of Surface Science and Nanotechnology",,"Vol. 8",,"pp. 93-100",2010,
"A Terasawa,K Tobimatsu,T Tada,T Yamamoto,S Watanabe","Effects of resonant scattering by probe contacts on nanoscale four-probe resistance measurements",,"New Journal of Physics",,"Vol. 12",,,2010,
"TK GU,ZC WANG,T TADA,S WATANABE","First-principles simulations on bulk Ta2O5 and Cu/Ta2O5/Pt heterojunction: Electronic structures and transport properties",,"JOURNAL OF APPLIED PHYSICS",,"Vol. 106",,,2009,
"S KASAMATSU,T TADA,S WATANABE","Comparative Study of Charged and Neutral Oxygen Vacancies in Cubic Zirconia from First Principles",,"APPLIED PHYSICS EXPRESS",,"Vol. 2",,,2009,
"S WATANABE,TK GU,ZC WANG,T TADA","First Principles Calculations on Electron Conduction Paths in Solid Electrolytes: Toward an Understanding of the Working Mechanism of Atomic Switches",,"JOURNAL OF THE JAPAN INSTITUTE OF METALS",,"Vol. 73",,"pp. 577-582",2009,
"T TADA,S WATANABE","Chemically Softened Boundary of Metal/Vacuum/Solid-Electrolyte from First Principles",,"JOURNAL OF PHYSICAL CHEMISTRY C",,"Vol. 113",,"pp. 17780-17786",2009,
"A TERASAWA,T TADA,S WATANABE","Theoretical study of four-probe resistance in nanoscale measurements: Monatomic carbon chains and (5,5)-carbon nanotubes",,"PHYSICAL REVIEW B",,"Vol. 79",,,2009,
"A TAWARA,T TADA,S WATANABE","Electrostatic and dynamical effects of an aqueous solution on the zero-bias conductance of a single molecule: A first-principles study",,"PHYSICAL REVIEW B",,"Vol. 80",,,2009,
"ZC WANG,TK GU,T KADOHIRA,T TADA,S WATANABE","Migration of Ag in low-temperature Ag2S from first principles",,"JOURNAL OF CHEMICAL PHYSICS",,"Vol. 128",,,2008,
"K YOSHIZAWA,T TADA,A STAYKOV","Orbital views of the electron transport in molecular devices",,"JOURNAL OF THE AMERICAN CHEMICAL SOCIETY",,"Vol. 130",,"pp. 9406-9413",2008,
"ZC WANG,TK GU,T TADA,S WATANABE","Excess-silver-induced bridge formation in a silver sulfide atomic switch",,"APPLIED PHYSICS LETTERS",,"Vol. 93",,,2008,
"T TADA","Hyperfine switching triggered by resonant tunneling for the detection of a single nuclear spin qubit",,"PHYSICS LETTERS A",,"Vol. 372",,"pp. 6690-6693",2008,
"Z WANG,T KADOHIRA,T TADA,S WATANABE","Nonequilibrium quantum transport properties of a silver atomic switch",,"NANO LETTERS",,"Vol. 7",,"pp. 2688-2692",2007,
"R SUZUKI,M NODA,T TADA,S WATANABE","Tight-binding analysis of surface electronic conduction measured with micro-multipoint scanning tunneling microscopy probes",,"JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS",,"Vol. 45",,"pp. 2136-2139",2006,
"S TANIBAYASHI,T TADA,S WATANABE,H SEKINO","Effects of energetic stability in transport measurements of single benzene-dithiolate by the STM break junction technique",,"CHEMICAL PHYSICS LETTERS",,"Vol. 428",,"pp. 367-370",2006,
"Tomofumi Tada,Satoshi Watanabe","Submatrix inversion approach to the ab initio Green's function method for electrical transport",,"e-Journal of Surface Science and Nanotechnology",,"Vol. 4",,"pp. 484-489",2006,
"M KONDO,T TADA,K YOSHIZAWA","A theoretical measurement of the quantum transport through an optical molecular switch",,"CHEMICAL PHYSICS LETTERS",,"Vol. 412",,"pp. 55-59",2005,
"T TADA,S HAMAYAMA,M KONDO,K YOSHIZAWA","Quantum transport effects in copper(II) phthalocyanine sandwiched between gold nanoelectrodes",,"JOURNAL OF PHYSICAL CHEMISTRY B",,"Vol. 109",,"pp. 12443-12448",2005,
"S TANIBAYASHI,T TADA,S WATANABE,K YOSHIZAWA","Computational study on stable structures, formation energies, and conductance of single benzene-dithiolate between two an electrodes",,"JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS",,"Vol. 44",,"pp. 7729-7731",2005,
"T TADA,K YOSHIZAWA","Reverse exponential decay of electrical transmission in nanosized graphite sheets",,"JOURNAL OF PHYSICAL CHEMISTRY B",,"Vol. 108",,"pp. 7565-7572",2004,
"T TADA,Y AOKI,A IMAMURA","An analytical molecular orbital approach in tetrathiafulvalene tetracyanoquinodimethane (TTF-TCNQ)",,"MOLECULAR PHYSICS",,"Vol. 102",,"pp. 1891-1901",2004,
"S YAMAGO,B RAY,K IIDA,J YOSHIDA,T TADA,K YOSHIZAWA,Y KWAK,A GOTO,T FUKUDA","Highly versatile organostibine mediators for living radical polymerization",,"JOURNAL OF THE AMERICAN CHEMICAL SOCIETY",,"Vol. 126",,"pp. 13908-13909",2004,
"T TADA,D NOZAKI,M KONDO,S HAMAYAMA,K YOSHIZAWA","Oscillation of conductance in molecular junctions of carbon ladder compounds",,"JOURNAL OF THE AMERICAN CHEMICAL SOCIETY",,"Vol. 126",,"pp. 14182-14189",2004,
"T TADA,M KONDO,K YOSHIZAWA","Green's function formalism coupled with Gaussian broadening of discrete states for quantum transport: Application to atomic and molecular wires",,"JOURNAL OF CHEMICAL PHYSICS",,"Vol. 121",,"pp. 8050-8057",2004,
"M KONDO,T TADA,K YOSHIZAWA","Wire-length dependence of the conductance of oligo(p-phenylene) dithiolate wires: A consideration from molecular orbitals",,"JOURNAL OF PHYSICAL CHEMISTRY A",,"Vol. 108",,"pp. 9143-9149",2004,
"T TADA,D NOZAKI,M KONDO,K YOSHIZAWA","Molecular orbital interactions in the nanostar dendrimer",,"JOURNAL OF PHYSICAL CHEMISTRY B",,"Vol. 107",,"pp. 14204-14210",2003,
"T TADA,K YOSHIZAWA","Quantum transport effects in nanosized graphite sheets. II. Enhanced transport effects by heteroatoms",,"JOURNAL OF PHYSICAL CHEMISTRY B",,"Vol. 107",,"pp. 8789-8793",2003,
"T TADA,M KONDO,K YOSHIZAWA","Theoretical measurements of conductance in an (AT)(12) DNA molecule",,"CHEMPHYSCHEM",,"Vol. 4",,"pp. 1256-1260",2003,
"T TADA,K YOSHIZAWA","Quantum transport effects in nanosized graphite sheets",,"CHEMPHYSCHEM",,"Vol. 3",,"pp. 1035-1037",2002,
"T TADA,Y AOKI","Efficient ab initio molecular-orbital approach to quasi-one-dimensional molecular crystals based on neighboring-interaction-localized molecular orbitals",,"PHYSICAL REVIEW B",,"Vol. 65",,,2002,
"T TADA,Y AOKI","An analytical molecular orbital approach for modeling of low-dimensional conductors in molecular crystals",,"INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY",,"Vol. 86",,"pp. 401-415",2002,
"Y AOKI,T TADA,Y ORIMOTO","Poly(para-phenylene) with the end structure of CH2-(C6H4)(n)-H provides nearly zero band gaps in long chains with n > 6",,"PHYSICAL REVIEW B",,"Vol. 66",,,2002,
"T TADA,Y AOKI,A IMAMURA","The contributions of chalcogen to the Peierls instability in model crystals of charge-transfer complexes",,"SYNTHETIC METALS",,"Vol. 95",,"pp. 169-177",1998,
"Y AOKI,T TADA,A IMAMURA","Molecular orbital approach to the Peierls instability in polyenes and its application to model crystals of charge-transfer complexes",,"INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY",,"Vol. 64",,"pp. 325-336",1997,