@book{CTT100772886,
  author = {Tomofumi Tada},
  title = {Orbital Rule for Electron Transport of Molecular Junctions},
  publisher = {},
  year = 2016,
}

@book{CTT100648294,
  author = {Tomofumi Tada},
  title = {Quantum transport and quantum information processing in single molecular junctions},
  publisher = {InTec},
  year = 2012,
}

@article{CTT100875720,
  author = {Albert Iskandarova and Tomofumi Tada and Soshi Iimura and Hideo Hosono},
  title = {Characteristic mechanism for fast H− conduction in LaH2.5O0.25},
  journal = {Acta Materialia},
  year = 2022,
}

@article{CTT100875719,
  author = {Shingo Urata and Nobuhiro Nakamura and Tomofumi Tada and Aik Rui Tan and Rafael Gomez-Bombarelli and Hideo Hosono},
  title = {Suppression of Rayleigh Scattering in Silica Glass by Codoping Boron and Fluorine: Molecular Dynamics Simulations with ForceMatching and Neural Network Potentials},
  journal = {J. Phys. Chem. C},
  year = 2022,
}

@article{CTT100875760,
  author = {Keiga Fukui and Soshi Iimura and Albert Iskandarov and Tomofumi Tada and Hideo Hosono},
  title = {Room-Temperature Fast H− Conduction in Oxygen-Substituted Lanthanum Hydride},
  journal = {J. AM. CHEM. SOC.},
  year = 2022,
}

@article{CTT100903773,
  author = {Shu Kanno and Tomofumi Tada and Takeru Utsumi and Kazuma Nakamura and Hideo Hosono},
  title = {Electronic correlation strength of inorganic electrides from first principles},
  journal = {J. Phys. Chem. Lett.},
  year = 2021,
}

@article{CTT100848509,
  author = {Shu Kanno and Tomofumi Tada},
  title = {Many-body calculations for periodic materials via restricted Boltzmann machine-based VQE},
  journal = {Quantum Science and Technology},
  year = 2021,
}

@article{CTT100848510,
  author = {Shingo Urata and Nobuhiro Nakamura and Tomofumi Tada and Hideo Hosono},
  title = {Molecular dynamics study on the co‐doping effect of Al 2 O 3 and fluorine to reduce Rayleigh scattering of silica glass},
  journal = {Journal of the American Ceramic Society},
  year = 2021,
}

@article{CTT100862167,
  author = {Keiga Fukui and Soshi Iimura and Junjie Wang and Tomofumi Tada and Takashi Honda and Kazutaka Ikeda and Toshiya Otomo and Hideo Hoson},
  title = {Stabilization Factor of Anion-Excess Fluorite Phase for Fast Anion Conduction},
  journal = {CHEM. MATER.},
  year = 2021,
}

@article{CTT100862182,
  author = {Kun Li and Junjie Wang and Vladislav A. Blatov and Yutong Gong and Naoto Umezawa and Tomofumi Tada and Hideo Hosono and Artem R. Oganov},
  title = {Crystal and electronic structure engineering of tin monoxide by external pressure},
  journal = {J Adv Ceram.},
  year = 2021,
}

@article{CTT100862127,
  author = {Shingo Urata and Nobuhiro Nakamura and Kento Aiba and Tomofumi Tada and Hideo Hosono},
  title = {How fluorine minimizes density fluctuations of silica glass: Molecular dynamics study with machine-learning assisted force-matching potential},
  journal = {Materials and Design},
  year = 2020,
}

@article{CTT100833704,
  author = {Yuya Tanaka and Kohei Oomura and Shintaro Fujii and Tomofumi Tada and Manabu Kiguchi and MUNETAKA AKITA},
  title = {Single-Molecule Junction of a Cationic Rh(III) Polyyne Molecular Wire},
  journal = {Inorganic Chemistry},
  year = 2020,
}

@article{CTT100829267,
  author = {Tian-Nan Ye and Sang-Won Park and Yangfan Lu and Jiang Li and Masato Sasase and MasaakiKitano and Tomofumi Tada and Hideo Hosono},
  title = {Vacancy-enabled N2 activation for ammonia synthesis on an Ni-loaded catalyst},
  journal = {NATURE},
  year = 2020,
}

@article{CTT100845823,
  author = {Nanxi Miao and Junjie Wang and * Yutong Gong and Jiazhen Wu and Haiyang Niu and Shiyao Wang and Kun Li and Artem R. Oganov and * Tomofumi Tada and Hideo Hosono},
  title = {Computational Prediction of Boron-Based MAX Phases and MXene Derivatives},
  journal = {chemistry of materials},
  year = 2020,
}

@article{CTT100848512,
  author = {Tomoya Itakura and Hiroshi Matsui and Tomofumi Tada and Susumu Kitagawa and Aude Demessence and Satoshi Horike},
  title = {The role of lattice vibration in the terahertz region for proton conduction in 2D metal–organic frameworks},
  journal = {Chemical Science},
  year = 2020,
}

@article{CTT100816297,
  author = {Takuya Nakao and Tomofumi Tada and HIDEO HOSONO},
  title = {First-Principles and Microkinetic Study on the Mechanism for Ammonia Synthesis Using Ru-Loaded Hydride Catalyst},
  journal = {The Journal of Physical Chemistry C},
  year = 2019,
}

@article{CTT100816298,
  author = {Takuya Nakao and Tomofumi Tada and HIDEO HOSONO},
  title = {Transition Metal-doped Ru Nanoparticles Loaded on Metal Hydrides for Efficient Ammonia Synthesis from First Principles},
  journal = {The Journal of Physical Chemistry C},
  year = 2019,
}

@article{CTT100810785,
  author = {Tiannan Ye and Yangfan Lu and Zewen Xiao and Jiang Li and Takuya Nakao and Hitoshi Abe and Yasuhiro Niwa and Masaaki Kitano and Tomofumi Tada and Hideo Hosono},
  title = {Palladium-bearing intermetallic electride as an efficient and stable catalyst for Suzuki cross-coupling reactions},
  journal = {Nature Communications},
  year = 2019,
}

@article{CTT100810714,
  author = {Keiga Fukui and Soshi Iimura and Tomofumi Tada and Satoru Fujitsu and Masato Sasase and Hiromu Tamatsukuri and Takashi Honda and Kazutaka Ikeda and Toshiya Otomo and HIDEO HOSONO},
  title = {Characteristic fast H− ion conduction in oxygen-substituted lanthanum hydride},
  journal = {Nature Communications},
  year = 2019,
}

@article{CTT100798431,
  author = {Junjie Wang and Tian-Nan Ye and Yutong Gong and Jiazhen Wu and Nanxi Miao and Tomofumi Tada and Hideo Hosono},
  title = {Discovery of hexagonal ternary phase Ti₂InB₂ and its evolution to layered boride TiB},
  journal = {Nature Communications},
  year = 2019,
}

@article{CTT100795233,
  author = {F. Ishiwari and G. Nascimbeni and E. Sauter and H. Tago and Y. Shoji and S. Fujii and M. Kiguchi and T. Tada and M. Zharnikov and E. Zojer and T. Fukushima},
  title = {Triptycene Tripods for the Formation of Highly Uniform and Densely Packed Self-Assembled Monolayers with Controlled Molecular Orientation},
  journal = {Journal of the American Chemical Society},
  year = 2019,
}

@article{CTT100795231,
  author = {Tomofumi Tada and Fumitaka Ishiwari and Yoshiaki Shoji and Takanori Fukushima},
  title = {First-Principles Study of the Adsorption Behavior of Triptycene Molecular Tripods on Au(111): Site-Selectivity and Unambiguous Molecular Orientation},
  journal = {The Journal of Physical Chemistry C},
  year = 2019,
}

@article{CTT100772444,
  author = {Yangfan Lu and Junjie Wang and Jiang Li and Jiazhen Wu and Shu Kanno and Tomofumi Tada and Hideo Hosono},
  title = {Realization of Mott-insulating electrides in dimorphic Yb₅Sb₃},
  journal = {Physical Review B},
  year = 2018,
}

@article{CTT100769477,
  author = {Y. Tanaka and Y. Kato and T. Tada and S. Fujii and M. Kiguchi and M. Akita},
  title = {“Doping” of Polyyne with An Organometallic Fragment Leads to Highly Conductive Metallapolyyne Molecular Wire”},
  journal = {},
  year = 2018,
}

@article{CTT100772778,
  author = {Tomofumi Tada},
  title = {Wave-packet multi-scale simulations based on a non-linear tight-binding Hamiltonian for carrier transport in π-conjugated polymers},
  journal = {Mater. Chem. Front.},
  year = 2018,
}

@article{CTT100769435,
  author = {Takaya Ogawa and Yasukazu Kobayashi and Hiroshi Mizoguchi and Masaaki Kitano and Hitoshi Abe and Tomofumi Tada and Yoshitake Toda and Yasuhiro Niwa and Hideo Hosono},
  title = {High Electron Density on Ru in Intermetallic YRu₂: The Application to Catalyst for Ammonia Synthesis},
  journal = {J. Phys. Chem. C},
  year = 2018,
}

@article{CTT100768773,
  author = {Kazuhisa Kishida and Masaaki Kitano and Yasunori Inoue and Masato Sasase and Takuya Nakao and Tomofumi Tada and Hitoshi Abe and Yasuhiro Niwa and Toshiharu Yokoyama and Michikazu Hara and Hideo Hosono},
  title = {Large Oblate Hemispheroidal Ruthenium Particles Supported on Calcium Amide as Efficient Catalysts for Ammonia Decomposition},
  journal = {Chem. Eur. J.},
  year = 2018,
}

@article{CTT100760171,
  author = {Yutong Gong and Jiazhen Wu and Masaaki Kitano and Junjie Wang and Tian-Nan Ye and Jiang Li and Yasukazu Kobayashi and Kazuhisa Kishida and Hitoshi Abe and Yasuhiro Niwa and Hongsheng Yang and Tomofumi Tada and Hideo Hosono},
  title = {Ternary intermetallic LaCoSi as a catalyst for N₂ activation},
  journal = {Nat. Catal.},
  year = 2018,
}

@article{CTT100772779,
  author = {Albert M. Iskandarov and Tomofumi Tada},
  title = {Dopant driven tuning of hydrogen oxidation mechanism at the pore/nickel/zirconia triple phase boundary},
  journal = {Phys. Chem. Chem. Phys.},
  year = 2018,
}

@article{CTT100759406,
  author = {Masaaki Kitano and Yasunori Inoue and Masato Sasase and 岸田和久 and Yasukazu Kobayashi and Kohei Nishiyama and Tomofumi Tada and Shigeki Kawamura and Toshiharu Yokoyama and Michikazu Hara and Hideo Hosono},
  title = {Self-organized Ruthenium–Barium Core–Shell Nanoparticles on a Mesoporous Calcium Amide Matrix for Efficient Low-Temperature Ammonia Synthesis},
  journal = {Angew. Chem. Int. Ed},
  year = 2018,
}

@article{CTT100771726,
  author = {M. Iwane and T. Tada and T. Osuga and T. Murase and M. Fujita and T. Nishino and M. Kiguchi and S. Fujii},
  title = {Controlling Stacking Order and Charge Transport in ?-Stacks of Aromatic Molecules Based on Surface Assembly},
  journal = {Chem. Commun.},
  year = 2018,
}

@article{CTT100772848,
  author = {Tomofumi Tada and Junjie Wang and Hideo Hosono},
  title = {First principles evolutionary search for new electrides along the dimensionality of anionic electrons},
  journal = {Journal of Computer Chemistry-Japan},
  year = 2017,
}

@article{CTT100757141,
  author = {Ye Tiannan and Yangfan Lu and jiang li and Takuya Nakao and Hongsheng Yang and Tomofumi Tada and Masaaki Kitano and HIDEO HOSONO},
  title = {Copper-Based Intermetallic Electride Catalyst for Chemoselective Hydrogenation Reactions},
  journal = {J. AM. CHEM. SOC.},
  year = 2017,
}

@article{CTT100757555,
  author = {Junjie Wang and Kota Hanzawa and Hidenori Hiramatsu and Junghwan Kim and Naoto Umezawa and Koki Iwanaka and Tomofumi Tada and Hideo Hosono},
  title = {Exploration of Stable Strontium Phosphide-Based Electrides: Theoretical Structure Prediction and Experimental Validation},
  journal = {Journal of the American Chemical Society},
  year = 2017,
}

@article{CTT100753538,
  author = {Hitoshi Abe and Yasuhiro  Niwa and Masaaki Kitano and yasunori inoue and Masato Sasase and Takuya Nakao and Tomofumi Tada and Toshiharu Yokoyama and MICHIKAZU HARA and HIDEO HOSONO},
  title = {Anchoring Bond between Ru and N Atoms of Ru/Ca2NH Catalyst: Crucial for the High Ammonia Synthesis Activity},
  journal = {The Journal of Physical Chemistry C},
  year = 2017,
}

@article{CTT100772846,
  author = {Shixue Liu and Arief Mohammad and Kazuya Mihara and Takayoshi Ishimoto and Tomofumi Tada and Michihisa Koyama},
  title = {Predictive Microkinetic Model for Solid Oxide Fuel Cell Patterned Anode: Based on an Extensive Literature Survey and Exhaustive Simulations},
  journal = {J. Phys. Chem. C},
  year = 2017,
}

@article{CTT100772852,
  author = {Tomofumi Tada},
  title = {Full Atomistic Kinetic Monte Carlo and First Principles study on Electromotive Force of SOFC with Direct Counting Approach},
  journal = {ECS Transactions},
  year = 2017,
}

@article{CTT100772851,
  author = {S. Liu and L. C. Saha and A. M. Iskandarovb and Z. Jiao and S. Hara and T. Ishimoto and Tomofumi Tada and Y. Umeno and N. Shikazono and S. Matsumura and M. Koyama},
  title = {Multi-Scale, Multi-Physics Approach for Solid Oxide Fuel Cell Anode Reaction},
  journal = {ECS Transactions},
  year = 2017,
}

@article{CTT100772849,
  author = {Albert M. Iskandarov and Tomofumi Tada},
  title = {First-Principles Study of Dopant Effect on Hydrogen Oxidation in Anode of Solid Oxide Fuel Cell},
  journal = {ECS Transactions},
  year = 2017,
}

@article{CTT100757579,
  author = {Junjie Wang and Mohammad Khazaei and Masao Arai and Naoto Umezawa and Tomofumi Tada and Hideo Hosono},
  title = {Semimetallic Two-Dimensional TiB12: Improved Stability and Electronic Properties Tunable by Biaxial Strain},
  journal = {Chemistry of Materials},
  year = 2017,
}

@article{CTT100772845,
  author = {Shunsuke Furukawa and Yuki Suda and Junji Kobayashi and Takayuki Kawashima and Tomofumi Tada and Shintaro Fujii and Manabu Kiguchi and Masaichi Saito},
  title = {Triphosphasumanene Trisulfide: High Out-of-Plane Anisotropy and Janus-Type π-Surfaces},
  journal = {J. Am. Chem. Soc.},
  year = 2017,
}

@article{CTT100742660,
  author = {Takeshi Inoshita and Seiji Takemoto and Tomofumi Tada and Hideo Hosono},
  title = {Surface electron states on the quasi-two-dimensional excess-electron compounds Ca₂N and Y₂C},
  journal = {Physical Review B},
  year = 2017,
}

@article{CTT100772844,
  author = {Tsukasa Futagoishi and Tomoko Aharen and Tatsuhisa Kato and Azusa Kato and Toshiyuki Ihara and Tomofumi Tada and Michihisa Murata and Atsushi Wakamiya and Hiroshi Kageyama and Yoshihiko Kanemitsu and Yasujiro Murata},
  title = {A Stable, Soluble, and Crystalline Supramolecular System with a Triplet Ground State},
  journal = {Angew. Chem.},
  year = 2017,
}

@article{CTT100737215,
  author = {Yangfan Lu and Tomofumi Tada and Yoshitake Toda and Shigenori Ueda and Jiazhen Wu and Jiang Li and Koji Horiba and Hiroshi Kumigashira and Yaoqing Zhang and Hideo Hosono},
  title = {Interlayer states arising from anionic electrons in the honeycomb-lattice-based compounds AeAlSi (Ae = Ca, Sr, Ba)},
  journal = {Phys. Rev. B},
  year = 2017,
}

@article{CTT100722580,
  author = {Takuya Nakao and Tomofumi Tada and Masaaki Kitano and Masato Sasase and HIDEO HOSONO},
  title = {The Key Indicator for the Control of Metal Particle Sizes on Supports from First-Principles and Experimental Observation},
  journal = {J. Phys. Chem. C},
  year = 2016,
}

@article{CTT100727139,
  author = {Manabu Kiguchi and Takuya Takahashi and Yuta Takahashi and Yoshihiro Yamauchi and Takashi Murase and Makoto Fujita and Tomofumi Tada and Satoshi Watanabe},
  title = {Electron Transport through Single Molecules of Aromatic Stacks Enclosed in Self-assembled Cages},
  journal = {Angew. Chem. Int. Ed.},
  year = 2016,
}

@article{CTT100772872,
  author = {Yuki Komoto and Shintaro Fujii and Hisao Nakamura and Tomofumi Tada and Tomoaki Nishino and Manabu Kiguchi},
  title = {Resolving metal-molecule interfaces at single-molecule junctions},
  journal = {Scientific Reports},
  year = 2016,
}

@article{CTT100714831,
  author = {藤井慎太郎 and 小本祐貴 and 多田朋史 and 大須賀孝史 and 村瀬隆史 and 藤田誠 and 木口学},
  title = {パイスタック分子接合の多彩な伝導特性},
  journal = {表面科学},
  year = 2016,
}

@article{CTT100722607,
  author = {Masaaki Kitano and yasunori inoue and Hiroki Ishikawa and Kyosuke Yamagata and Takuya Nakao and Tomofumi Tada and Satoru Matsuishi and Toshiharu Yokoyama and MICHIKAZU HARA and HIDEO HOSONO},
  title = {Essential role of hydride ion in ruthenium-based ammonia synthesis catalysts},
  journal = {Chem. Sci.},
  year = 2016,
}

@article{CTT100772888,
  author = {Kaho Sugimoto and Yuya Tanaka and Shintaro Fujii and Tomofumi Tada and Manabu Kiguchi and Munetaka Akita},
  title = {Organometallic molecular wires as versatile modules for energy-level alignment of the metal-molecule-metal junction},
  journal = {Chemical Communications},
  year = 2016,
}

@article{CTT100772876,
  author = {Seiji Takemoto and Tomofumi Tada},
  title = {Zirconium-peroxo embedded in non-stoichiometric yttria stabilized zirconia (110) from first-principles},
  journal = {Solid State Ionics},
  year = 2016,
}

@article{CTT100772875,
  author = {Takayoshi Ishimoto and Yumi Ito and Tomofumi Tada and Ryo Oike and Takashi Nakamura and Koji Amezawa and Michihisa Koyama},
  title = {Theoretical study on temperature effect of electronic structure and spin state in LaCoO3 by using density functional theory},
  journal = {SOLID STATE IONICS},
  year = 2016,
}

@article{CTT100704995,
  author = {Min Liao and Seiji Takemoto and Zewen Xiao and Yoshitake Toda and Tomofumi Tada and Shigenori Ueda and Toshio Kamiya and Hideo Hosono},
  title = {Difficulty of carrier generation in orthorhombic PbO},
  journal = {J. Appl. Phys},
  year = 2016,
}

@article{CTT100804822,
  author = {Imachi, H. and Yokoyama, S. and Kaji, T. and Abe, Y. and Tomofumi Tada and Hoshi, T.},
  title = {One-hundred-nm-scale electronic structure and transport calculations of organic polymers on the K computer},
  journal = {AIP Conference Proceedings},
  year = 2016,
}

@article{CTT100704157,
  author = {Yangfan Lu and Jiang Li and Tomofumi Tada and Yoshitake Toda and Shigenori Ueda and Toshiharu Yokoyama and Masaaki Kitano and Hideo Hosono},
  title = {Water Durable Electride Y5Si3: Electronic Structure and Catalytic Activity for Ammonia Synthesis},
  journal = {J. Am. Chem. Soc. (Commun.)},
  year = 2016,
}

@article{CTT100772950,
  author = {Tomofumi Tada and Kazunari Yoshizawa},
  title = {Molecular design of electron transport with orbital rule: toward conductance-decay free molecular junctions},
  journal = {Physical Chemistry Chemical Physics},
  year = 2015,
}

@article{CTT100772951,
  author = {Tomofumi Tada},
  title = {Systematic modeling for triple phase boundary of Ni/ZrO2 SOFC anode from first principles},
  journal = {ECS Transactions},
  year = 2015,
}

@article{CTT100772952,
  author = {Seiji Takemoto and Tomofumi Tada},
  title = {First-principles study of surface peroxo in oxygen-rich yttria stabilized zirconia (110)},
  journal = {ECS Transactions},
  year = 2015,
}

@article{CTT100772953,
  author = {Takayoshi Ishimoto and K. Sato and Tomofumi Tada and Kouji Amezawa and Michihisa Koyama},
  title = {Theoretical Study on Oxygen Dissociation Reaction on LaSrCoO3},
  journal = {ECS Transactions},
  year = 2015,
}

@article{CTT100772949,
  author = {Shintaro Fujii and Tomofumi Tada and Yuki Komoto and Takafumi Osuga and Takashi Murase and Makoto Fujita and Manabu Kiguchi},
  title = {Rectifying Electron-Transport Properties through Stacks of Aromatic Molecules Inserted into a Self-Assembled Cage},
  journal = {Journal of the American Chemical Society},
  year = 2015,
}

@article{CTT100772970,
  author = {Bo Xiao and Tingkun Gu and Tomofumi Tada and Satoshi Watanabe},
  title = {Conduction paths in Cu/amorphous-Ta2O5/Pt atomic switch: First-principles studies},
  journal = {Journal of Applied Physics},
  year = 2014,
}

@article{CTT100682036,
  author = {Tomofumi Tada and Seiji Takemoto and Seiji Takemoto and Hideo Hosono},
  title = {High-Throughput ab Initio Screening for Two-Dimensional Electride Materials},
  journal = {Inorg. Chem.},
  year = 2014,
}

@article{CTT100721352,
  author = {Yoshikazu Ito and K. Takai and Akira Miyazaki and V. Sivamurugan and M. Kiguchi and Y. Ogawa and N. Nakamura and S. Valiyaveettil and T. Tada and S. Watanabe and T. Enoki},
  title = {Anomalous metallic-like transport of Co-Pd ferromagnetic nanoparticles cross-linked with π-conjugated molecules having a rotational degree of freedom},
  journal = {PCCP},
  year = 2013,
}

@article{CTT100773048,
  author = {Tomofumi Tada and Naoki Watanabe},
  title = {Parallelized Meso-Scale Kinetic Monte Carlo Simulations for SOFC Characterization},
  journal = {ECS Transactions},
  year = 2013,
}

@article{CTT100773046,
  author = {Jun Terao and Akihisa Wadahama and Akitoshi Matono and Tomofumi Tada and Satoshi Watanabe and Shu Seki and Tetsuaki Fujihara and Yasushi Tsuji},
  title = {Design principle for increasing charge mobility of pi-conjugated polymers using regularly localized molecular orbitals},
  journal = {Nature Communications},
  year = 2013,
}

@article{CTT100726218,
  author = {M. Kiguchi and J. Inatomi and Yuuta Takahashi and Ryota Tanaka and T. Osuga and T. Murase and M. Fujita and T. Tada and S. Watanabe},
  title = {Highly Conductive [3×n] Gold-Ion Clusters Enclosed within Self-Assembled Cages},
  journal = {},
  year = 2013,
}

@article{CTT100773049,
  author = {Wei Liu and Kenji Sasaoka and Takahiro Yamamoto and Tomofumi Tada and Satoshi Watanabe},
  title = {Inelastic transient electrical currents and phonon heating in a single-level quantum dot system},
  journal = {Journal of Applied Physics},
  year = 2013,
}

@article{CTT100773052,
  author = {Shusuke Kasamatsu and Tomofumi Tada and Satoshi Watanabe},
  title = {Parallel-sheets model analysis of space charge layer formation at metal/ionic conductor interfaces},
  journal = {Solid State Ionics},
  year = 2012,
}

@article{CTT100773051,
  author = {Wei Liu and Kenji Sasaoka and Tkahiro Yamamoto and Tomofumi Tada and Satoshi Watanabe},
  title = {Elastic Transient Energy Transport and Energy Balance in a Single-Level Quantum Dot System},
  journal = {Japanese Journal of Applied Physics},
  year = 2012,
}

@article{CTT100727133,
  author = {Manabu Kiguchi and Shigeto Nakashima and Tomofumi Tada and Satoshi Watanabe and Susumu Tsuda and Yasushi Tsuji and Jun Terao},
  title = {Single Molecule Conductance of π-Conjugated Rotaxane: New Method for Measuring Stipulated Electric Conductance of π-Conjugated Molecular Wire Using STM Break Junction},
  journal = {Small},
  year = 2012,
}

@article{CTT100647750,
  author = {S Kasamatsu and T Tada and S Watanabe},
  title = {Theoretical analysis of space charge layer formation at metal/ionic conductor interfaces},
  journal = {Solid State Ionics},
  year = 2011,
}

@article{CTT100647758,
  author = {Tomofumi Tada and Takahiro Yamamoto and Satoshi Watanabe},
  title = {Molecular orbital concept on spin-flip transport in molecular junctions},
  journal = {Theoretical Chemistry Accounts},
  year = 2011,
}

@article{CTT100647774,
  author = {Arihiro Tawara and Tomofumi Tada and Satoshi Watanabe},
  title = {Effects of Molecular Dynamics on Electrical Conductance of Single Molecular Junction in Aqueous Solution: First Principles Calculations},
  journal = {e-Journal of Surface Science and Nanotechnology},
  year = 2010,
}

@article{CTT100647746,
  author = {TK Gu and T Tada and S Watanabe},
  title = {Conductive Path Formation in the Ta2O5 Atomic Switch: First-Principles Analyses},
  journal = {Acs Nano},
  year = 2010,
}

@article{CTT100647777,
  author = {A Terasawa and K Tobimatsu and T Tada and T Yamamoto and S Watanabe},
  title = {Effects of resonant scattering by probe contacts on nanoscale four-probe resistance measurements},
  journal = {New Journal of Physics},
  year = 2010,
}

@article{CTT100647748,
  author = {Shusuke Kasamatsu and Tomofumi Tada and Satoshi Watanabe},
  title = {First Principles Study of Oxygen Vacancies Near Nickel/Zirconia Interface},
  journal = {e-Journal of Surface Science and Nanotechnology},
  year = 2010,
}

@article{CTT100647768,
  author = {T TADA and S WATANABE},
  title = {Chemically Softened Boundary of Metal/Vacuum/Solid-Electrolyte from First Principles},
  journal = {JOURNAL OF PHYSICAL CHEMISTRY C},
  year = 2009,
}

@article{CTT100647749,
  author = {S KASAMATSU and T TADA and S WATANABE},
  title = {Comparative Study of Charged and Neutral Oxygen Vacancies in Cubic Zirconia from First Principles},
  journal = {APPLIED PHYSICS EXPRESS},
  year = 2009,
}

@article{CTT100647747,
  author = {TK GU and ZC WANG and T TADA and S WATANABE},
  title = {First-principles simulations on bulk Ta2O5 and Cu/Ta2O5/Pt heterojunction: Electronic structures and transport properties},
  journal = {JOURNAL OF APPLIED PHYSICS},
  year = 2009,
}

@article{CTT100647781,
  author = {S WATANABE and TK GU and ZC WANG and T TADA},
  title = {First Principles Calculations on Electron Conduction Paths in Solid Electrolytes: Toward an Understanding of the Working Mechanism of Atomic Switches},
  journal = {JOURNAL OF THE JAPAN INSTITUTE OF METALS},
  year = 2009,
}

@article{CTT100647776,
  author = {A TERASAWA and T TADA and S WATANABE},
  title = {Theoretical study of four-probe resistance in nanoscale measurements: Monatomic carbon chains and (5,5)-carbon nanotubes},
  journal = {PHYSICAL REVIEW B},
  year = 2009,
}

@article{CTT100647775,
  author = {A TAWARA and T TADA and S WATANABE},
  title = {Electrostatic and dynamical effects of an aqueous solution on the zero-bias conductance of a single molecule: A first-principles study},
  journal = {PHYSICAL REVIEW B},
  year = 2009,
}

@article{CTT100647778,
  author = {ZC WANG and TK GU and T KADOHIRA and T TADA and S WATANABE},
  title = {Migration of Ag in low-temperature Ag2S from first principles},
  journal = {JOURNAL OF CHEMICAL PHYSICS},
  year = 2008,
}

@article{CTT100647783,
  author = {K YOSHIZAWA and T TADA and A STAYKOV},
  title = {Orbital views of the electron transport in molecular devices},
  journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY},
  year = 2008,
}

@article{CTT100647779,
  author = {ZC WANG and TK GU and T TADA and S WATANABE},
  title = {Excess-silver-induced bridge formation in a silver sulfide atomic switch},
  journal = {APPLIED PHYSICS LETTERS},
  year = 2008,
}

@article{CTT100647756,
  author = {T TADA},
  title = {Hyperfine switching triggered by resonant tunneling for the detection of a single nuclear spin qubit},
  journal = {PHYSICS LETTERS A},
  year = 2008,
}

@article{CTT100647780,
  author = {Z WANG and T KADOHIRA and T TADA and S WATANABE},
  title = {Nonequilibrium quantum transport properties of a silver atomic switch},
  journal = {NANO LETTERS},
  year = 2007,
}

@article{CTT100647755,
  author = {R SUZUKI and M NODA and T TADA and S WATANABE},
  title = {Tight-binding analysis of surface electronic conduction measured with micro-multipoint scanning tunneling microscopy probes},
  journal = {JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS},
  year = 2006,
}

@article{CTT100647757,
  author = {Tomofumi Tada and Satoshi Watanabe},
  title = {Submatrix inversion approach to the ab initio Green's function method for electrical transport},
  journal = {e-Journal of Surface Science and Nanotechnology},
  year = 2006,
}

@article{CTT100647772,
  author = {S TANIBAYASHI and T TADA and S WATANABE and H SEKINO},
  title = {Effects of energetic stability in transport measurements of single benzene-dithiolate by the STM break junction technique},
  journal = {CHEMICAL PHYSICS LETTERS},
  year = 2006,
}

@article{CTT100647763,
  author = {T TADA and S HAMAYAMA and M KONDO and K YOSHIZAWA},
  title = {Quantum transport effects in copper(II) phthalocyanine sandwiched between gold nanoelectrodes},
  journal = {JOURNAL OF PHYSICAL CHEMISTRY B},
  year = 2005,
}

@article{CTT100647754,
  author = {M KONDO and T TADA and K YOSHIZAWA},
  title = {A theoretical measurement of the quantum transport through an optical molecular switch},
  journal = {CHEMICAL PHYSICS LETTERS},
  year = 2005,
}

@article{CTT100647773,
  author = {S TANIBAYASHI and T TADA and S WATANABE and K YOSHIZAWA},
  title = {Computational study on stable structures, formation energies, and conductance of single benzene-dithiolate between two an electrodes},
  journal = {JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS},
  year = 2005,
}

@article{CTT100647771,
  author = {T TADA and K YOSHIZAWA},
  title = {Reverse exponential decay of electrical transmission in nanosized graphite sheets},
  journal = {JOURNAL OF PHYSICAL CHEMISTRY B},
  year = 2004,
}

@article{CTT100647753,
  author = {M KONDO and T TADA and K YOSHIZAWA},
  title = {Wire-length dependence of the conductance of oligo(p-phenylene) dithiolate wires: A consideration from molecular orbitals},
  journal = {JOURNAL OF PHYSICAL CHEMISTRY A},
  year = 2004,
}

@article{CTT100647766,
  author = {T TADA and D NOZAKI and M KONDO and S HAMAYAMA and K YOSHIZAWA},
  title = {Oscillation of conductance in molecular junctions of carbon ladder compounds},
  journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY},
  year = 2004,
}

@article{CTT100647765,
  author = {T TADA and M KONDO and K YOSHIZAWA},
  title = {Green's function formalism coupled with Gaussian broadening of discrete states for quantum transport: Application to atomic and molecular wires},
  journal = {JOURNAL OF CHEMICAL PHYSICS},
  year = 2004,
}

@article{CTT100647762,
  author = {T TADA and Y AOKI and A IMAMURA},
  title = {An analytical molecular orbital approach in tetrathiafulvalene tetracyanoquinodimethane (TTF-TCNQ)},
  journal = {MOLECULAR PHYSICS},
  year = 2004,
}

@article{CTT100647782,
  author = {S YAMAGO and B RAY and K IIDA and J YOSHIDA and T TADA and K YOSHIZAWA and Y KWAK and A GOTO and T FUKUDA},
  title = {Highly versatile organostibine mediators for living radical polymerization},
  journal = {JOURNAL OF THE AMERICAN CHEMICAL SOCIETY},
  year = 2004,
}

@article{CTT100647770,
  author = {T TADA and K YOSHIZAWA},
  title = {Quantum transport effects in nanosized graphite sheets. II. Enhanced transport effects by heteroatoms},
  journal = {JOURNAL OF PHYSICAL CHEMISTRY B},
  year = 2003,
}

@article{CTT100647767,
  author = {T TADA and D NOZAKI and M KONDO and K YOSHIZAWA},
  title = {Molecular orbital interactions in the nanostar dendrimer},
  journal = {JOURNAL OF PHYSICAL CHEMISTRY B},
  year = 2003,
}

@article{CTT100647764,
  author = {T TADA and M KONDO and K YOSHIZAWA},
  title = {Theoretical measurements of conductance in an (AT)(12) DNA molecule},
  journal = {CHEMPHYSCHEM},
  year = 2003,
}

@article{CTT100647745,
  author = {Y AOKI and T TADA and Y ORIMOTO},
  title = {Poly(para-phenylene) with the end structure of CH2-(C6H4)(n)-H provides nearly zero band gaps in long chains with n > 6},
  journal = {PHYSICAL REVIEW B},
  year = 2002,
}

@article{CTT100647759,
  author = {T TADA and Y AOKI},
  title = {An analytical molecular orbital approach for modeling of low-dimensional conductors in molecular crystals},
  journal = {INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY},
  year = 2002,
}

@article{CTT100647760,
  author = {T TADA and Y AOKI},
  title = {Efficient ab initio molecular-orbital approach to quasi-one-dimensional molecular crystals based on neighboring-interaction-localized molecular orbitals},
  journal = {PHYSICAL REVIEW B},
  year = 2002,
}

@article{CTT100647769,
  author = {T TADA and K YOSHIZAWA},
  title = {Quantum transport effects in nanosized graphite sheets},
  journal = {CHEMPHYSCHEM},
  year = 2002,
}

@article{CTT100647761,
  author = {T TADA and Y AOKI and A IMAMURA},
  title = {The contributions of chalcogen to the Peierls instability in model crystals of charge-transfer complexes},
  journal = {SYNTHETIC METALS},
  year = 1998,
}

@article{CTT100647744,
  author = {Y AOKI and T TADA and A IMAMURA},
  title = {Molecular orbital approach to the Peierls instability in polyenes and its application to model crystals of charge-transfer complexes},
  journal = {INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY},
  year = 1997,
}

@inproceedings{CTT100814084,
  author = {Takuya Nakao and Tomofumi Tada and Hideo Hosono},
  title = {Ammonia synthesis mechanism using Ru-loaded hydride catalyst from first principles},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100814087,
  author = {S. Kanno and T. Tada and T. Utsumi and K. Nakamura and H. Hosono},
  title = {First principles study for a quantitative characterization of electrides  based on many-body Hamiltonian},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100833725,
  author = {Yuya Tanaka and Reo Kawano and Tomofumi Tada and Shintaro Fujii and Manabu Kiguchi and MUNETAKA AKITA},
  title = {Single-Molecule Conductance Study of Organometallic Molecular Wires with Acene Linkers},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100814083,
  author = {Takuya Nakao and Tomofumi Tada and Hideo Hosono},
  title = {Ammonia synthesis mechanism using Ru/Ca2NH catalyst; A first-principles study},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100833729,
  author = {田中裕也 and 加藤佑弥 and 多田朋史 and 藤井慎太郎 and 木口学 and 穐田宗隆},
  title = {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},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100833730,
  author = {田中裕也 and 加藤佑弥 and 多田朋史 and 藤井慎太郎 and 木口学 and 穐田宗隆},
  title = {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},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100796002,
  author = {石割 文崇 and 田子博睦 and 多田 朋史 and 藤井 慎太郎 and 木口 学 and 福島 孝典},
  title = {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},
  booktitle = {},
  year = 2019,
}

@inproceedings{CTT100833735,
  author = {田中裕也 and 加藤佑弥 and 多田朋史 and 藤井慎太郎 and 木口学 and 穐田宗隆},
  title = {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},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100833737,
  author = {田中裕也 and 加藤佑弥 and 藤井慎太郎 and 多田朋史 and 木口学 and 穐田宗隆},
  title = {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},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100772782,
  author = {Tomofumi Tada},
  title = {Atomistic flow to Macroscopic flow: Nernst’s potential from atomistic kinetic Monte Carlo with first principles},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100795242,
  author = {大澤佐保 and 田子博睦 and 石割文崇 and 庄子良晃 and 多田朋史 and 藤井慎太郎 and 木口 学 and 福島孝典},
  title = {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},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100772780,
  author = {Tomofumi Tada},
  title = {Theoretical study on electron transport through organometallic molecular wires},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100772786,
  author = {多田朋史},
  title = {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},
  booktitle = {応用物理学会シリコンテクノロジー分科会},
  year = 2018,
}

@inproceedings{CTT100772856,
  author = {Tomofumi Tada},
  title = {Full Atomistic Kinetic Monte Carlo and First Principles study on Electromotive Force of SOFC with direct counting Approach},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100772783,
  author = {Tomofumi Tada},
  title = {Full Atomistic Kinetic Monte Carlo with Direct Counting Approach for Ion Dynamics in Electrochemical Cells},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100772787,
  author = {多田朋史},
  title = {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},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100772785,
  author = {Tomofumi Tada},
  title = {Full atomistic kinetic Monte Carlo with direct counting approach for electromotive force of electrochemical cells},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100772843,
  author = {西山航平 and 多田朋史},
  title = {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},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100772842,
  author = {菅野志優 and 多田朋史},
  title = {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},
  booktitle = {},
  year = 2018,
}

@inproceedings{CTT100772858,
  author = {多田朋史 and 竹本整司 and 細野秀雄},
  title = {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},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100772859,
  author = {多田朋史},
  title = {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},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100785786,
  author = {田中裕也 and 加藤佑弥 and 藤井慎太郎 and 多田朋史 and 木口学 and 穐田宗隆},
  title = {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},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100772860,
  author = {多田朋史 and ワンジュンジエ and 細野秀雄},
  title = {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},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100752797,
  author = {中尾琢哉 and 多田朋史 and 北野政明 and 細野秀雄},
  title = {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},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100753232,
  author = {Takuya Nakao and Tomofumi Tada and HIDEO HOSONO},
  title = {First-principles study on Ru-based intermetallic alloy loaded on hydrides for efficient ammonia synthesis},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100785784,
  author = {加藤佑弥 and 田中裕也 and 藤井慎太郎 and 多田朋史 and 木口学 and 穐田宗隆},
  title = {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},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100772861,
  author = {アルベルト・イスカンダロフ and 多田朋史},
  title = {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},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100814079,
  author = {Tomofumi Tada and Takuya Nakao and Hideo Hosono},
  title = {First-Principles Study on Essential role of Metal Hydrides for Ammonia Synthesis},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100749183,
  author = {Takuya Nakao and Tomofumi Tada and Masaaki Kitano and Masato Sasase and Hideo Hosono},
  title = {First-Principles and Experimental Study on the Descriptors for Controlling Metal Particle Sizes on Supports},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100751406,
  author = {Takuya Nakao and Tomofumi Tada and Masaaki Kitano and Masato Sasase and HIDEO HOSONO},
  title = {Guideline for the control of Ru particles sizes on supports based on the chemical bond between metal and support's anion},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100751728,
  author = {Masaaki Kitano and yasunori inoue and Takuya Nakao and Tomofumi Tada and MICHIKAZU HARA and HIDEO HOSONO},
  title = {Ammonia synthesis over Ru-loaded Ca2NH: Effect of H- ion on the catalytic performance},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100772854,
  author = {Albert Iskandarov and Tomofumi Tada},
  title = {First-Principles Study of Dopant Effect on Hydrogen Oxidation in Anode of Solid Oxide Fuel Cell},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100772857,
  author = {Tomofumi Tada and Albert Iskandarov and J. Wang and S. Takemoto},
  title = {First-principles and multi-scale simulations for chemical reactions on surfaces and interfaces},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100772862,
  author = {多田朋史},
  title = {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},
  booktitle = {},
  year = 2017,
}

@inproceedings{CTT100734781,
  author = {中尾琢哉 and 多田朋史 and 北野政明 and 笹瀬雅人 and 細野秀雄},
  title = {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},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100772878,
  author = {Tomofumi Tada},
  title = {Multiscale simulation for carrier mobility of micro-meter scale pi-conjugated molecular wire},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100734131,
  author = {中尾琢哉 and 多田朋史 and 北野政明 and 細野秀雄},
  title = {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},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100734585,
  author = {Takuya Nakao and Tomofumi Tada and Masaaki Kitano and HIDEO HOSONO},
  title = {Catalytic Role of Anionic Electron and H- in Ammonia Synthesis using Ru-Loaded [Ca2N]+H- from First-Principles},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100722592,
  author = {中尾琢哉 and 北野政明 and 多田朋史 and 原亨和 and 細野秀雄},
  title = {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},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100785779,
  author = {田中裕也 and 杉本歌穂 and 加藤佑弥 and 藤井慎太郎 and 多田朋史 and 木口学 and 穐田宗隆},
  title = {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},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100772884,
  author = {多田朋史 and アルベルト イスカンダロフ},
  title = {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},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100772881,
  author = {Tomofumi Tada},
  title = {THEORETICAL STUDY ON A SINGLE MOLECULAR SPIN CONTROL AND DETECTION FOR QUANTUM INFORMATION PROCESSING},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100772883,
  author = {Tomofumi Tada and Kazunari Yoshizawa},
  title = {Recent Topics on Orbital Rule for Single Molecular Conductance},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100722624,
  author = {中尾琢哉 and 多田朋史 and 北野政明 and 細野秀雄},
  title = {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},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100735099,
  author = {Y. Komoto and S. Fujii and H. Nakamura and T. Tada and M. Kiguchi},
  title = {Thermopower and current-voltage measurement of1,4-benzenedithiol-single molecular junctions},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100735089,
  author = {小本祐貴 and 藤井慎太郎 and 中村恒夫 and 多田朋史 and 木口学},
  title = {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},
  booktitle = {},
  year = 2016,
}

@inproceedings{CTT100772954,
  author = {Tomofumi Tada and Takeshi Inoshita and Hideo Hosono},
  title = {High-throughput ab initio study for 2D electride materials },
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100772955,
  author = {Tomofumi Tada},
  title = {Hybrid density functional study on electron transport though π-stack molecular junctions for high conductance},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100772885,
  author = {多田朋史},
  title = {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},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100772961,
  author = {多田朋史},
  title = {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},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100772956,
  author = {Tomofumi Tada and Satoru Matsuishi and Hideo Hosono},
  title = {Ionic diffusion in hydride conductors from first principles and kinetic Monte Carlo simulations},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100772957,
  author = {Tomofumi Tada},
  title = {Wave packet scattering simulations for spin dependent transport in molecular-spin junctions},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100772962,
  author = {多田朋史},
  title = {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},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100773044,
  author = {Tomofumi Tada},
  title = {Systematic modeling for triple phase boundary of  Ni/ZrO2 SOFC anode from first principles},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100773043,
  author = {Seiji Takemoto and Tomofumi Tada},
  title = {First-principles study of zirconium-peroxo in oxygen-rich yttria stabilized zirconia (110)},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100772965,
  author = {多田朋史},
  title = {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},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100772968,
  author = {多田朋史},
  title = {πスタック単分子架橋系の量子輸送計算},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100735102,
  author = {M. Kiguchi and S. Fujii and T. Tada and S. Watanabe},
  title = {Electron Transport Through Single π-Stacked Systems And Ionic Wires},
  booktitle = {},
  year = 2015,
}

@inproceedings{CTT100772973,
  author = {多田朋史 and 福島孝典},
  title = {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},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100773039,
  author = {竹本整司 and 多田朋史},
  title = {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},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100773038,
  author = {多田朋史 and 竹本整司 and 松石聡 and 細野秀雄},
  title = {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},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100772971,
  author = {Tomofumi Tada and Seiji Takemoto and Satoru Matsuishi and Hideo Hosono},
  title = {High-throughput ab initio study for two dimensional electride materials},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100772972,
  author = {Seiji Takemoto and Tomofumi Tada},
  title = {Surface Stability of Non-stoichiometric cubic ZrO2 and YSZ from First Principles calculations},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100773040,
  author = {多田朋史},
  title = {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},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100773041,
  author = {多田朋史},
  title = {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},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100773042,
  author = {多田朋史 and 竹本整司 and 松石聡 and 細野秀雄},
  title = {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},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100735177,
  author = {藤井慎太郎 and 小本祐貴 and 金相殷 and 木口学 and 多田朋史 and 大須賀孝史 and 村瀬隆史 and 藤田誠},
  title = {ヘテロ積層したパイスタック分子の整流特性},
  booktitle = {},
  year = 2014,
}

@inproceedings{CTT100773074,
  author = {多田朋史},
  title = {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},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773073,
  author = {竹本整司 and 多田朋史},
  title = {第一原理計算によるNi/YSZ界面の安定},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773069,
  author = {Tomofumi Tada and Naoki Watanabe},
  title = {Parallelized Meso-Scale Kinetic Monte Carlo Simulations for  SOFC Characterization},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773075,
  author = {竹本整司 and 多田朋史},
  title = {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},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773078,
  author = {多田朋史},
  title = {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},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773064,
  author = {Tomofumi Tada and Seiji Takemoto},
  title = {FIRST-PRINCIPLES AND KINETIC MONTE CARLO SIMULATION ON TRIPLE PHASE BOUNDARY OF SOLID OXIDE FUEL CELL ANODE},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773076,
  author = {多田朋史 and 渡辺尚貴},
  title = {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},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773070,
  author = {Tomofumi Tada and Naoki Watanabe},
  title = {Parallel Kinetic Monte Carlo Simulation on Ionic Migrations and Chemical Reactions in Solid Oxide Fuel Cells},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773071,
  author = {Tomofumi Tada},
  title = {Electronic Structures of Ni(111)/ZrO2(111) and Ni(113)/ZrO2(200) Interfaces at a reduced condition for the Solid Oxide Fuel Cell application},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773079,
  author = {古山通久 and 河野晴彦 and 小倉鉄平 and 石元孝佳 and 松村 晶 and 原祥太郎 and 多田朋史 and 梅野宜崇 and 鹿園直樹},
  title = {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},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773080,
  author = {石元孝佳 and 伊藤諭美 and 多田朋史 and 雨澤浩史 and 古山通久},
  title = {LaCoO3内殻励起スペクトルの温度依存性に関する理論解析},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773081,
  author = {多田朋史},
  title = {πスタック分子架橋の伝導計算と分子接合設計},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773067,
  author = {多田朋史},
  title = {固体酸化物形燃料電池のマルチスケール計算},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773072,
  author = {Tomofumi Tada and Naoki Watanabe and Satoshi Watanabe},
  title = {First principles calculations and kinetic Monte Carlo simulations for chemical reaction analysis at the Ni/H2/YSZ triple phase boundary},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100773065,
  author = {Tomofumi Tada and Satoshi Watanabe},
  title = {Kinetic Monte Carlo Study on oxygen migrations and chemical reactions in Ni/YSZ SOFC anode},
  booktitle = {},
  year = 2013,
}

@inproceedings{CTT100735275,
  author = {Manabu Kiguchi and Takuya Takahashi and Yuta Takahashi and Yoshihiro Yamauchi and Takashi Murase and Makoto Fujita and Tomofumi Tada and Satoshi Watanabe},
  title = {Electron Transport through Single Molecules of Aromatic Stacks Enclosed in Self-assembled Cages},
  booktitle = {},
  year = 2011,
}

@misc{CTT100835038,
  author = {多田朋史 and 高橋　一輝 and 板倉　智也 and 加美　謙一郎 and 堀毛　悟史 and 北川　進},
  title = {プロトン伝導体および燃料電池},
  howpublished = {公開特許},
  year = 2020,
  month  = {},
  note   = {特願2019-001062(2019/01/08), 特開2020-113367(2020/07/27)}
}


@misc{CTT100808495,
  author = {細野秀雄 and 北野政明 and 多田朋史 and 横山壽治 and 戸田喜丈 and 魯楊帆 and 李江},
  title = {遷移金属担持金属間化合物、担持金属触媒、及びアンモニアの製造方法},
  howpublished = {登録特許},
  year = 2021,
  month  = {},
  note   = {特願2017-558267(2016/12/22), 再表2017/111028(2018/10/11), 特許第6890788号(2021/05/28)}
}