| 1. |
多田朋史, 第一原理計算とニューラルネットワークポテンシャル法による高ヒドリド伝導体の伝導メカニズム解析, 透明酸化物光・電子材料第166委員会, 2022.03. |
| 2. |
菅野志優、多田朋史、中村和磨、細野秀雄, 第一原理計算による量子多体系としてのエレクトライド解析, 第69回応用物理学会春季学術講演会, 2022.03. |
| 3. |
T. Tada, Large scale atomistic simulations driven by neural-network potential molecular dynamics and kinetic Monte Carlo with external fields, Materials Research Meeting 2021 , 2021.12. |
| 4. |
T. Tada , M. Araidai, Accurate mesoscale simulation for oxygen vacancy diffusion in BaTiO3 by kinetic Monte Carlo method via free energy multicanonical sampling, Materials Research Meeting 2021 , 2021.12. |
| 5. |
多田朋史, 第一原理計算と加速型アルゴリズムによる大規模系長時間ダイナミクス, 第34回秋季シンポジウム日本セラミックス協会, 2021.09. |
| 6. |
菅野志優，多田朋史, 量子機械学習による周期系材料の電子状態計算, 日本物理学会, 2020.03. |
| 7. |
T. Tada, Recent developments in atomistic simulations for new compound search with energetics and multi-scale dynamics with kinetics, The 1st ISCSP&AM, 2019.10. |
| 8. |
T. Tada and K. Yoshizawa, The exponential law of electrical transmission in nanosized graphite sheets, International Conference on Nanoscience and Technology (ICONSAT 2003).  |
| 9. |
T. Tada M. Kondo and K. Yoshizawa, Theoretical Measurements of Conductance in an (AT)12 DNA molecule, Kyushu International Symposium on Physical Organic Chemistry (KISPOC-X). |
| 10. |
T. Tada M. Kondo K. Yoshizawa and S. Watanabe, A Green’s function formalism with Gaussian broadening for electrical transmission in atomic and molecular wires, 2004 MRS (Materials Research Society) Fall Meeting. |
| 11. |
T. Tada M. Kondo K. Yoshizawa and S. Watanabe, Ab initio Green’s function formalism for electrical transmission of molecular wires, 12th International Colloquium on Scanning Probe Microscopy. |
| 12. |
T. Tada M. Kondo K. Yoshizawa and S. Watanabe, Theoretical approach to electrical transmission through molecular wires: Gaussian broadening and surface Green’s function methods, 7th Engineering International Conference on Molecular-Scale Electronics. |
| 13. |
T. Tada and S. Watanabe, Ab initio Green’s function method with GAUSSIAN for electrical transport, Niels Bohr Summer Institute 2005 Transport in mesoscopic and single-molecule systems. |
| 14. |
T. Tada and S. Watanabe, Submatrix inversion approach to ab-initio Green's function method with GAUSSIAN for electrical transport, International Symposium on Surface Science and Nanotechnology (ISSS-4). |
| 15. |
T. Tada and S. Watanabe, Ab-initio Green’s function study of NMR chemical shifts of molecular junction, International Conference on Nanoscience and Technology ICN+T 2006. |
| 16. |
T. Tada and S. Watanabe, “Ab-initio Green’s function method with GAUSSIAN for electrical transport through atomic and molecular wires”, ABSTRACT BOOK: MRS Spring Meeting 2006. |
| 17. |
T. Tada and S. Watanabe, Ab-initio Green’s function study for NMR chemical shifts of Hydrogen molecular junction, International Symposium on Nanoscience at Surfaces (ISSP10). |
| 18. |
T. Tada and S. Watanabe, Ab initio Green’s function study on NMR-STM simulation of hydrogen molecular junction, 14th International Colloquium on Scanning Probe Microscopy(ICSPM14). |
| 19. |
T. Tada A. Tawara T. Matsuyama S. Watanabe S. Tanibayashi H. Sekino, Ab initio Green’s function method and Boltzmann averaging for electrical conductance of a single molecular junction, American Physical Society March Meeting. |
| 20. |
T. Tada A. Tawara and S. Watanabe, Ab initio simulation of conductance histogram of benzene-1 4-dithiolate molecular wire in water solution, International symposium on Frontiers in Computational Science of Nanoscale Transport in conjunction with Atomistix Workshop 2007 (FCSNT). |
| 21. |
T. Tada A. Tawara T. Matsuyama and S. Watanabe, Ab initio NEGF-DFT study on electrical transport of single molecular junction in water solution, International Conference on Nanoscience and Technology ICN+T 2007. |
| 22. |
T. Tada and S. Watanabe, An initio Green’s function study on STM-NMR simulation of single molecular devices, International Conference on Nanoscience and Technology ICN+T 2007. |
| 23. |
T. Tada Z. Wang T. Gu and S. Watanabe, Ab initio non-equilibrium Green’s function study on metal/mixed conductor interface of atomic switch, The 9th International Conference on Atomically Controlled Surface Interfaces and Nanostructures (ACSIN-9). |
| 24. |
T. Tada Z. Wang T. Gu and S. Watanabe, Ab initio study on interface and electronic structures of atomic switch composed of mixed conductors, 2007 MRS (Materials Research Society) Fall Meeting. |
| 25. |
T. Tada Z. Wang T. Gu and S. Watanabe, Ab initio non-equilibrium Green’s function study on the growth of metallic bridge in mixed conductor atomic switch, American Physical Society March Meeting 2008. |
| 26. |
T. Tada S. Kasamatsu and S. Watanabe, First principles study on Hydrogen diffusion and oxidation at the triple-phase-boundary of Ni/H2/ZrO2, Pacific Rim Meeting on Electrochemical and Solid-state Science. |
| 27. |
T. Tada S. Kasamatsu and S. Watanabe, First principles study on the electronic structure and reactivity of Ni/H/ZrO2 triple phase boundary in solid oxide fuel cell, Nonstoichiometric Compounds ECI conference. |
| 28. |
T. Tada Y. Yamamoto K. Sasaoka and S. Watanabe, Wave Packet dynamics on Inelastic Spin-Flip Transport in Molecular junctions, International Symposium on Quantum Nanophotonics and Nanoelectronics (ISQNN 2009). |
| 29. |
T. Tada T. Yamamoto and S. Watanabe, Wave Packet dynamics on Spin-Flip Transport through Nanocontact, SSSJ-A3 Foresight Joint Symposium on Nanomaterials and Nanostructures. |
| 30. |
T. Tada, Hyperfine Switching triggered by resonant tunneling for the detection and operation of a single nuclear spin qubit, 2010 International Symposium on Physics of Quantum Technology (ISPQT 2010). |
| 31. |
T. Tada and S. Watanabe, Chemically softened boundary of metal/fuel/oxide triple phase boundary from first principles, Psi K conference 2010. |
| 32. |
T. Tada T. Yamamoto and S. Watanabe, Spin-flip transport in a single molecular junction from Green’s function and wave-packet approaches, Tsinghua-SNU-UT-2011Workshop Proceedings:. |
| 33. |
T. Tada T. Yamamoto and S. Watanabe, Molecular orbital concept on spin flip transport in a single molecular junction, China-Japan Joint Symposium on Current and Future Molecular Electronics. |
| 34. |
T. Tada, Quantum transport and quantum information processing on single molecular junctions from first principles, The 14th Asian Workshop on First-Principles Electronic Structure Calculations. |
| 35. |
T. Tada T. Yamamoto and S. Watanabe, Electron Transport in π-stacked Molecules aligned in Nano Space, International conference of New science created by Materials with Nano Spaces. |
| 36. |
T. Tada and S. Watanabe, First Principles calculations of chemical reactions at the triple phase boundary in solid oxide fuel cells, The 6th International Symposium on Surface Science ?Towards,Nano- Bio- and Green Innovation -. |
| 37. |
T. Tada, Frontiers in electronic structure calculations for single molecular junctions, Asian International Symposium ? Theoretical Chemistry,Chemoinformatics, Computational Chemistry?. |
| 38. |
T. Tada, First principles calculations of fuel oxidation reactions at the triple phase boundary in Solid Oxide Fuel Cells, SNU-UT Workshop on Defect Chemical Nature of Advanced Materials. |
| 39. |
Tomofumi Tada and Satoshi Watanabe, Nanoscale and multiscale simulations on ion migration and chemical reaction in SOFC, 244th American Chemical Society National Meeting & Exhibition. |
| 40. |
T. Tada, First principles calculations of the chemical reactions at the triple phase boundary in Solid Oxide Fuel Cells, BIT’s 2nd Annual Congress of Nanoscience and Nanotechnology 2012. |
| 41. |
T. Tada and S. Watanabe, Multiscale Investigation with Kinetic Monte Carlo and Density Functional Calculations on the Ni/YSZ Anode Cermet of Solid Oxide Fuel Cell, International Union of Materials Research Societies ? International Conference on Electronic Materials 2012. |
| 42. |
T. Tada and S. Watanabe, Ab initio study on electron transport through single molecular junctions and its application to nano-scale devices, International Conference on Small Science (ICSS). |
| 43. |
T. Tada and S. 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. |
| 44. |
T. Tada N. Watanabe 3 and S. 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). |
| 45. |
T. Tada, 固体酸化物形燃料電池のマルチスケール計算, 第５回 GMSI国際シンポジウム. |
| 46. |
T. Tada and S. Takemoto, 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). |
| 47. |
T. Tada and N. 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). |
| 48. |
T. Tada and S. 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). |
| 49. |
T. Tada and N. Watanabe, Parallelized Meso-Scale Kinetic Monte Carlo Simulations for SOFC Characterization, SOFC XIII. |
| 50. |
T. Tada, S. Takemoto, S. Matsuishi, and H. Hosono, High-throughput ab initio study for two dimensional electride materials, The Eighth International Conference on the Science and Technology for Advanced Ceramics STAC 8. |
| 51. |
T. Tada, High-throughput ab initio modeling for two-dimensional electride materials, Tokyo Institute of Technology and Uppsala University Joint Workshop. |
| 52. |
T. Tada, Systematic modeling for triple phase boundary of Ni/ZrO2 SOFC anode from first principles, SOFC XIV. |
| 53. |
(S. Takemoto) and T. Tada, First-principles study of zirconium-peroxo in oxygen-rich yttria stabilized zirconia (110), SOFC XIV. |
| 54. |
T. Tada, Wave packet scattering simulations for spin dependent transport in molecular-spin junctions, CT-NanoSim2015. |
| 55. |
T. Tada, S. Matsuishi, and H. Hosono, Ionic diffusion in hydride conductors from first principles and kinetic Monte Carlo simulations, STAC9. |
| 56. |
T. Tada, Hybrid density functional study on electron transport though π-stack molecular junctions for high conductance, Pacifichem2015. |
| 57. |
T. Tada, Inoshita, H. Hosono, High-throughput ab initio study for 2D electride materials, Pacifichem2015. |
| 58. |
T. Tada and K. Yoshizawa, Recent Topics on Orbital Rule for Single Molecular Conductance, Fujihara Seminar-70. |
| 59. |
T. Tada, THEORETICAL STUDY ON A SINGLE MOLECULAR SPIN CONTROL AND DETECTION FOR QUANTUM INFORMATION PROCESSING, OCUIC2016. |
| 60. |
T. Tada, Multiscale simulation for carrier mobility of micro-meter scale pi-conjugated molecular wire, ICSPM24. |
| 61. |
T. Tada, A. 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). |
| 62. |
T. Tada, Full Atomistic Kinetic Monte Carlo and First Principles study on Electromotive Force of SOFC with Direct Counting Approach, SOFC-XV. |
| 63. |
A. Iskandarov and T. Tada, First-Principles Study of Dopant Effect on Hydrogen Oxidation in Anode of Solid Oxide Fuel Cell, SOFC-XV. |
| 64. |
T. Tada, T. Nakao, and H. Hosono, First-Principles Study on Essential role of Metal Hydrides for Ammonia Synthesis, STAC10. |
| 65. |
T. Tada, Full atomistic kinetic Monte Carlo with direct counting approach for electromotive force of electrochemical cells, AEMC2018. |
| 66. |
T. Tada, Full Atomistic Kinetic Monte Carlo with Direct Counting Approach for Ion Dynamics in Electrochemical Cells, 233rd ECS. |
| 67. |
T. Tada, Theoretical study on electron transport through organometallic molecular wires, International Conference on Coordination Chemistry 2018 (ICCC2018). |
| 68. |
T. Tada, Atomistic flow to Macroscopic flow: Nernst’s potential from atomistic kinetic Monte Carlo with first principles, 5th SCI workshop. |
| 69. |
T. Tada, J. Wang, and H. Hosono, Evolutionally search with density functional calculations for a new class of one-dimensional electride as a Mott-insulator, CSW2019. |
| 70. |
T. Tada, Theoretical studies on a single molecular spin contact for quantum information processing, Nature Conference. |
| 71. |
Z. C. Wang T. Kadohira T. Tada S. Watanabe, First Principles Study toward the Understanding of Atomic Switch using Ag2S, UT2 The Univ. of Tokyo and Univ. of Toronto 5th Graduate Student Workshop. |
| 72. |
T. Kadohira T.Tada and S. Watanabe, Parameter generation for a simulator of nanoscale electric conduction by density functional tight binding method, International Conference on Quantum Simulators and Design. |
| 73. |
Z. C. Wang T. Kadohira T. Tada S. Watanabe, First-Principles Investigation on Atomic and Electronic Transport in Ag-Ag2S-Ag, American Physics Society March Meeting 2007. |
| 74. |
Z. C. Wang T. Kadohira T. Tada S. Watanabe, First-Principles Investigation on Atomic Switch through Ag-Ag2S-Ag System, SNU-TU-UT Student Workshop 2006. |
| 75. |
Tingkun Gu T. Kadohira T. Tada S. Watanabe, Migration of Ag Ions in Low-Temperature Ag2S from First-Principles Z. C. Wang, 6th UT2-COSM Graduate Student Workshop on Materials for a Sustainable Future. |
| 76. |
A. Tawara T.Tada S. Watanabe, Theoretical study of waters surrounding a molecular bridge between electrodes, Frontiers in Computational Science of NanoScale FCSNT2007. |
| 77. |
T. K. Gu Z. C. Wang T.Tada S. Watanabe, Electronic transport in atmic swiches of Ag-AG2S-Ag and Cu-Cu2S-Cu, Frontiers in Computational Science of NanoScale FCSNT2007. |
| 78. |
A. Terasawa T.Tada S. Watanabe, Development of multi-probe transport simulator based on destiny-functional tight-binding method, Frontiers in Computational Science of NanoScale FCSNT2007. |
| 79. |
S. Shibata Y. Nakamura T.Tada S. Watanabe, Ab initio study of forces between electrodes with a nanoscale gap toward the understanding of Kelvin probe force microscopy, Frontiers in Computational Science of NanoScale FCSNT2007. |
| 80. |
A. Tawara T.Tada S. Watanabe, Ab initio simulation of electron conduction through single molecules in water solution, International Workshop on Nano Link 2007. |
| 81. |
Z. C. Wang T. K. Gu T. Tada S. Watanabe, First-principles study on atomic and electronic structures and quantum transport properties of solid electrolyte atomic switch, The 4th Conference of the Asian Consortium on Computation Materials Science. |
| 82. |
S. Shibata H. Nakamura T.Tada S Watanabe, Ab initio study of forces acting on electrodes for microscopic understanding of Kelvin probe force microscopy, The 10th International conference on Non-Contact Atomic Force Microscopy. |
| 83. |
T. K. Gu Z. C. Wang T. Tada S. Watanabe, First-principles investigation on atomic swiｔches of Ag-Ag2S-Ag and Cu-Cu2S-Cu, The 10th Asian Workshop on First-Principles Electronic Structure Calculations. |
| 84. |
A. Tawara T. Tada and S. Watanabe, Theoretical study of benzene-1,4-dithiolate molecular bridge between Au electrodes in water solution., MRS Fall Meeting 2007. |
| 85. |
S. Shibata H. Nakamura T.Tada S Watanabe, First-Principle Calculation of Forces Acting on Scanning Probe for Microscopic Analysis of Kelvin Probe Force Microscopy, 15th International Colloquium on Scanning Probe Microscopy (ICSPM15). |
| 86. |
A. Terasawa T.Tada S. Watanabe, Development of multi-probe transport simulator based on density-functional tight-binding method, 15th International Colloquium on Scanning Probe Microscopy (ICSPM15). |
| 87. |
T. K. Gu Z. C. Wang T. Tada S. Watanabe, First Principles Study Toward the Understanding of Atomic Switches Through Ag2S and Cu2S, The 2nd International Conference on Physics of Solid state Ionics. |
| 88. |
A. Terasawa T. Tada S. Watanabe, Simulation of four-probe measurement based on density-functional tight-binding method, American Physics Society March Meeting 2008. |
| 89. |
A. Tawara T. Tada S. Watanabe, Ab initio study of solvent effects on electrical transport of molecular bridge between electrodes, American Physics Society March Meeting 2008. |
| 90. |
Arihiro Tawara Tomofumi Tada Satoshi Watanabe, Ab initio Study on a Benzene-1,4-dithiolate Molecular Bridge between Gold Electrodes in Water Solution, TU-UT Student Workshop on Materials Science and Engineering & JSPS Asian CORE Program Student Workshop on Materials between Tsinghua University and the University of Toyo. |
| 91. |
A. Terasawa T. Tada S. Watanabe, Transport simulation of four-probe measurement in the ballistic coherent limit, International Spring School on "Sub-10 nm Wires". |
| 92. |
Satoshi Watanabe Zhongchang Wang Tingkun Gu and Tomofumi Tada, First-Principles Study toward the Understanding of Switching Processes in Solid Electrolyte Atomic Switches., 2008 International Materials Research Conference. |
| 93. |
Gu Tingkun Wang Zhong Chang Tada Tomofumi and Satoshi Watanabe, First Principles Simulation on Ta2O5 Resistive Switch., 2008 International Materials Research Conference. |
| 94. |
Satoshi Watanabe Sachiko Sibata Tomofumi Tada, Quantum Mechanical Simulation of Kelvin Probe Force Microscopy for a Simple Metal Surface, 11th International Conference on Non-contact Atomic Force Microscopy. |
| 95. |
Shusuke Kasamatsu Tomofumi Tada Satoshi Watanabe, First Principles Simulation of Surface/Interface Effects on Ionic Conduction in Solid Oxide Material, The Summer Seminar on Nanoionics. |
| 96. |
Gu Tingkun Wang Zhong Chang Satoshi Watanabe and Tada Tomofumi, Theoretical Analysis on Electronic Transport of Cu-doped Tantalum pentoxide, 214 th ECS meeting. |
| 97. |
Arihiro Tawara Tomofumi Tada Satoshi Watanabe, Theoretical Study on Effects of an Aqueous Solution on Electronic Conductance of a Single Molecular Bridge, The 4th UT-SNU-TU Student Workshop - Advanced Functional Materials -. |
| 98. |
Asako Terasawa Tomofumi Tada Satoshi Watanabe, Simulation of four-probe measurements in the coherent transport region, The 4th UT-SNU-TU Student Workshop - Advanced Functional Materials -. |
| 99. |
Gu Tingkun Wang Zhong Chang Satoshi Watanabe and Tomofumi Tada, Structural Defects in Ta2O5 Resistive Switch: A First-Principles Study, The 11th Asian Wokshop on First-Principles Electronic Structure Calculation. |
| 100. |
Asako Terasawa Tomofumi Tada and Satoshi Watanabe, Simulation of four-probe resistance measurements in the coherent transport region, 5th International Symposium on Surface Science and Nanotechnology. |
| 101. |
Arihiro Tawara Tomofumi Tada and Satoshi Watanabe, First Principles Study on Electrical Transport of Benzene-1 4-ditiolate Molecular Bridge between Au Electrodes in Water Solution, 5th International Symposium on Surface Science and Nanotechnology. |
| 102. |
Gu Tingkun Wang Zhong Chang Satoshi Watanabe and Tomofumi Tada, Resistive Switch of Ta205: Am ab initio simulation, 5th International Symposium on Surface Science and Nanotechnology. |
| 103. |
Asako Teresawa Tomofumi Tada Satoshi Watanabe, Simulation of four-probe resistance measurements in nanoscale, ICSPM16 Conference. |
| 104. |
Satoshi Watanabe Gu Tingkun Wang Zhong Chang and Tada Tomofumi, Atomistic Simulations on Nanoscale Electronic Transport Properties, 1st International Symposium on Global Center of Excellence for Mechanical Systems Innovation. |
| 105. |
Shusuke Kasamatsu Tomofumi Tada Satoshi Watanabe, First Principles Simulation of Stoichiometry and Interface/Surface Effects on the Ionic Conductivity of Yttria-Stabilized Zirconia, ECI Nonstoichiometric Compounds. |
| 106. |
Gu Tingkun Wang Zhong Chang Tada Tomofumi and Satoshi Watanabe, Roles of Oxygen Vacancy and Interstitial Cu in Atomic Switch of Ta2O5: An Ab Initio Study, ECI Nonstoichiometric Compounds. |
| 107. |
Asako Terasawa Keiji Tobimatsu Tomofumi Tada and Satoshi Watanabe, Quantum simulation of four-probe measurement of carbon nanotube, 2009 APS March Meeting. |
| 108. |
Gu Tingkun Tada Tomofumi and Satoshi Watanabe, First-principles simulations on atomic switch by amorphous Ta2O5, ASIAN12. |
| 109. |
Satoshi Watanabe Tingkun Gu and Tomofumi Tada, First-principles study of electronic transport properties of Ta2O5 atomic switch, American Physical Society March Meeting 2010. |
| 110. |
Shusuke Kasamatsu Tomofumi Tada and Satoshi Watanabe, First principles investigation of ionic conductivity modulation at zirconia/heterophase interfaces, Tsinghua Week at Todai ?JSPS Asian CORE Program Workshop on Materials Science and Engineering. |
| 111. |
Daiki Inazuka Arihiro Tawara Tomofumi Tada and Satoshi Watanabe, Electronic transport and molecular dynamics simulations on a single molecular bridge with water solvent based on non-equilibrium Green's function method, Tsinghua Week at Todai ?JSPS Asian CORE Program Workshop on Materials Science and Engineering. |
| 112. |
Shusuke Kasamatsu Tomofumi Tada Satoshi Watanabe, Theoretical analysis of space-charge-layer formation at metal/solid electrolyte interface, 6th KIAS Electronic Structure Calculations Workshop. |
| 113. |
Asako Terasawa Keiji Tobimatsu Tomofumi Tada Takahiro Yamamoto and Satoshi Watanabe, Simulation of four-probe resistance measurements in nanoscale, SSSJ-A3 Foresight Joint Symposium on Nanomaterials and Nanostructures. |
| 114. |
Satoshi Watanabe Arihiro Tawara Daiki Inazuka and Tomofumi Tada, Theoretical study on forces under applied bias voltage from first-principles, NC-AFM2010 13th International Conference on Non-Contact Atomic Force Microscopy. |
| 115. |
Shusuke Kasamatsu Tomofumi Tada Satoshi Watanabe, First principles analysis of space charge layer formation at metal/zirconia interface, The Ψk-2010 conference the Henry Ford Building of the Free University. |
| 116. |
Satsohi Watanabe Tomofumi Tada Tingkun Gu, First-principles study of electronic conduction paths in a solid electrolyte atomic switch, The Ψk-2010 conference. |
| 117. |
Satoshi Watanabe Tomofumi Tada Shusuke Kasamatsu and Tingkun Gu, Nanoscale simulations on electronic and atomic conduction in solid electrolyte/metal junction systems, IUMRS 11th International Conference in Asia. |
| 118. |
Daiki Inazuka Arihiro Tawara Tomofumi Tada and Satoshi Watanabe, Electronic transport of a single molecular bridge at room temperature in aqueous solution and under applied bias voltage: a non-equilibrium Green's function study coupled with molecular dynamics simulations, The 13th Asian Workshop on First-Principles Electronic Structure Calculations POSTECH. |
| 119. |
Tingkun Gu Tomofumi Tada and Satoshi Watanabe, First-principles non-equilibrium Green's function study of Ta2O5 atomic switch, 15th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods The Abdus Salam International Centre for Theoretical Physics. |
| 120. |
Keiji Tobimatsu Asako Terasawa Tomofumi Tada Takahiro Yamamoto and Satoshi Watanabe, Numerical simulation of four-probe resistance measurements of nanoscale materials, 15th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods The Abdus Salam International Centre for Theoretical Physics. |
| 121. |
Satoshi Watanabe Tomofumi Tada Shusuke Kasamatsu and Tingkun Gu, Ab Initio Based Simulations toward the Understanding on Behaviors of Electrons and Ions in Oxide/Metal Junction Systems, JSPS Asian CORE Program and BK21 Workshop on Advanced Topics in Oxides. |
| 122. |
Shusuke Kasamatsu Tomofumi Tada and Satoshi Watanabe, Theoretical Analysis of the Space Charge Effect at the Metal/Oxide Interface - Fermi Level Alignment Model., 2011MRS Srping Meeting. |
| 123. |
Satoshi Watanabe Tomofumi Tada Shusuke Kasamatsu and Tingkun Gu, Ab Initio Based Simulations on Electronic and Atomic Transport in Solid Electrolyte/Metal Junction Systems, 2011MRS Srping Meeting. |
| 124. |
S. Suzuki T. Tada and S. Watanabe, The Kinetic Monte Carlo study on the vortex motion of oxygen vacancies at the Metal/vacuum/YSZ three phase boundary, The 6th International Symposium on Surface Science ?Towards ,Nano- Bio- and Green Innovation -. |
| 125. |
W. Liu K. Sasaoka T. Tada T. Yamamoto and S. Watanabe, Tight-binding study of transient electron transport under electron-phonon interaction, The 6th International Symposium on Surface Science ?Towards ,Nano- Bio- and Green Innovation -. |
| 126. |
K. Kiyono T. Tada R. Yoshida and S. Watanabe, Computational fluid dynamics simulation of a microchannel with self-oscillating gel toward design of a novel micro-objects transport system, The 6th International Symposium on Surface Science ?Towards ,Nano- Bio- and Green Innovation -. |
| 127. |
D. A. Thomas T. Yamamoto T. Tada and S. Watanabe, Non-Equlibrium Thermal Transport Simulation of Carbon Nano Fiber Nanostructures, International Union of Materials Research Societies ? International Conference on Electronic Materials 2012. |
| 128. |
Y. Umeno, T. Tada, S. Hara, N. Shikazono, Multiscale modeling for material design of solid oxide fuel cell electrodes, Engineering Conferences International (ECI): Harnessing the Materials Genome. |
| 129. |
S. Takemoto and T. 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 STAC 8. |
| 130. |
多田朋史, 青木百合子, 今村詮, 「解析的ヒュッケル解を基底としたPeierls instability と鎖間相互作用…電荷移動錯体モデル系への応用」, 日本化学会中国四国・同九州支部合同大会. |
| 131. |
多田朋史, 青木百合子, 今村詮, 「解析的 Hueckel 解を基底としたPeierls instability と鎖間相互作用 …ポリエン及び電荷移動錯体モデル系への適」, 第45回高分子学会年次大会. |
| 132. |
多田朋史, 青木百合子, 今村詮, 「分子設計のためのPeierls instability と鎖間相互作用の分子軌道法的研究…電荷移動錯体モデル系への適用」, 第45回高分子討論会. |
| 133. |
多田朋史, 青木百合子, 今村詮, 「分子設計のためのPeierls instability と鎖間相互作用の分子軌道法的研究…電荷移動錯体（d-pi 電荷移動を含む）モデル系への適用」, 第46回高分子学会年次大会. |
| 134. |
多田朋史, 青木百合子, 今村詮, 「電荷移動度に依存したPeierls instability と鎖間相互作用の分子軌道法的研究…電荷移動錯体モデル系への適用」, 第46回高分子討論会. |
| 135. |
多田朋史, 青木百合子, 今村詮, 「電荷移動錯体モデル系のさまざまなPeierls instability と分子鎖間相互作用の分子軌道法的研究」, 分子構造総合討論会. |
| 136. |
多田朋史, 青木百合子, 今村詮, 「Peierls instability と鎖間相互作用の分子軌道法的研究…TTF-TCNQ電荷移動錯体への適用」, 第47回高分子学会年次大会. |
| 137. |
多田朋史, 青木百合子, 今村詮, 「電荷移動錯体からなる高導電性結晶の設計のためのPeierls instability と鎖間相互作用」, 分子構造総合討論会. |
| 138. |
多田朋史, 青木百合子, 今村詮, 「分子軌道法を用いたTTFドナー系電荷移動錯体のPeierls instability と鎖間相互作用」, 日本化学会第75秋季年会. |
| 139. |
多田朋史, 青木百合子, 「電荷移動錯体からなるπ電子系有機導体の分子軌道法的研究」, 第48回高分子学会年次大会. |
| 140. |
多田朋史, 青木百合子, 「解析的分子軌道を用いたπ電子系有機固体の取り扱い…TTF-TCNQにおけるPeierls instabilityの温度、圧力、サイズ依存性」, 第49回高分子学会年次大会. |
| 141. |
多田朋史, 青木百合子, 解析的分子軌道による整合電荷密度波をもつ分子性結晶の電子状態, 第50回高分子学会年次大会. |
| 142. |
多田朋史, 青木百合子, 導電性分子性結晶の簡単なMO法を用いた設計, 第7回高分子計算機科学討論会. |
| 143. |
多田朋史, 青木百合子, 今村詮, 「電荷移動錯体モデル系の分子設計のためのPeierls instability と分子鎖間相互作用の分子軌道法的研究」, 分子構造総合討論会. |
| 144. |
多田朋史, 青木百合子, 電荷移動錯体からなる擬一次元有機導体の分子軌道法的取り扱い, 第3回理論化学討論会. |
| 145. |
多田朋史, 青木百合子, 「隣接相互作用局在化分子軌道を用いた擬一次元有機導体の取り扱い」, 分子構造総合討論会. |
| 146. |
多田朋史, 青木百合子, 「解析的分子軌道法による導電性有機固体の設計-Hartree Fock結晶軌道との比較-」, 第4回理論化学討論会. |
| 147. |
多田朋史, 青木百合子, 「隣接相互作用局在化分子軌道の低次元導体への適用」, 分子構造総合討論会. |
| 148. |
多田朋史, 吉澤一成, 「ランダウアモデルによるナノグラファイトシートの量子輸送過程」, 分子構造総合討論会. |
| 149. |
多田朋史, 吉澤一成, 「ヘテロ原子を含むナノグラファイトシートの量子輸送過」, 日本コンピューター化学会. |
| 150. |
多田朋史, 近藤正一, 吉澤一成, 「ランダウアモデルによるDNAナノワイヤーの量子輸送過程」, 分子構造総合討論会2003. |
| 151. |
多田朋史, 近藤正一, 吉澤一成, 「分子軌道法を用いた分子ワイヤーの量子輸送過程に関する理論的研究」, 分子スケールエレクトロニクス研究会. |
| 152. |
多田朋史, 近藤正一, 吉澤一成, 「分子ワイヤーの量子輸送過程に関する理論的研究」, 日本化学会第84春季年会. |
| 153. |
多田朋史, 近藤正一, 渡邉聡, 吉澤一成, 「ガウス関数展開を用いたグリーン関数法による分子ワイヤーのコンダクタンス計算」, 分子構造総合討論会2004. |
| 154. |
多田朋史, 近藤正一, 吉澤一成, 渡邉聡, 「行列グリーン関数法による原子・分子ワイヤーのコンダクタンス計算」, 第65回応用物理学会. |
| 155. |
多田朋史, 渡邉聡, 「グリーン関数法を用いた分子ナノワイヤーの第一原理計算」, 日本物理学会2005年秋季大会. |
| 156. |
多田朋史, 渡邉聡, 「グリーン関数法による分子ワイヤー第一原理計算：分子軌道基底からのアプローチ」, 分子構造総合討論会2005. |
| 157. |
多田朋史, 渡邉聡, 「第一原理グリーン関数法による単一分子接合のNMR化学シフト計算」, 日本物理学会2006年秋季大会. |
| 158. |
多田朋史, 渡邉聡, 「Ab initio Green関数法による単一分子接合のNMR化学シフト計算」, 分子構造総合討論会2006. |
| 159. |
多田朋史, 渡邉聡, 「第一原理グリーン関数法による単一分子接合のSTM-NMRシミュレーション」, 日本物理学会2007年春季大会. |
| 160. |
多田朋史, 俵有央, 渡邉聡, 「非平衡グリーン関数法による溶液内単一分子接合の電流特性に関する理論的研究」, 第一回分子科学討論会. |
| 161. |
多田朋史, 渡邉聡, 「第一原理計算による固体酸化物形燃料電池の燃料極反応場に関する理論的研究」, 2007年電気化学会秋季大会. |
| 162. |
多田朋史, 王中長, 谷延伸, 渡邉聡, 「イオン伝導体を用いた原子スイッチの界面構造・電子状態に関する第一原理計算」, 日本物理学会第62回年次大会. |
| 163. |
多田朋史, 笠松秀輔, 渡邉聡, 「Ni-YSZ燃料極反応場探索とサーメット伝導特性に関する第一原理計算」, 第33回固体イオニクス討論会. |
| 164. |
多田朋史, 渡邉聡, 「非平衡グリーン関数法による単一分子接合系の超微細相互作用とNMR特性の検討」, 日本物理学会第63回年次大会. |
| 165. |
多田朋史, 「単一核スピンフリップデバイスによるNMR量子コンピュータの提案に関する理論的研究」, 第二回分子科学討論会. |
| 166. |
多田朋史, 笠松秀輔, 渡邉聡, 「Ni/H2/YSZ三相界面における水酸化反応の第一原理計算」, 第34回固体イオニクス討論会. |
| 167. |
多田朋史, 山本貴博, 笹岡健二, 渡邉聡, 「単一分子架橋系におけるスピンフリップ非弾性電流シミュレーション」, 日本物理学会2009年秋季大会. |
| 168. |
多田朋史, 笠松秀輔, 渡邉聡, 「固体酸化物形燃料電池の燃料極三相界面構造に関する第一原理計算」, 日本物理学会第64回年次大会. |
| 169. |
多田朋史, 燃料極局所反応場の第一原理計算, ニューナノイオニクスフォーラム. |
| 170. |
多田朋史, 山本貴博, 笹岡健二, 渡邉聡, 「量子波束散乱法による分子スピンフリップ非弾性電流計算」, 日本物理学会第65会年次大会. |
| 171. |
多田朋史, 笠松秀輔, 渡邉聡, 「Ni/H/YSZ三相界面における燃料酸化反応の第一原理計算」, 第5回固体イオニクスセミナー. |
| 172. |
多田朋史, 渡邉聡, 「化学反応―エネルギー変換における素電圧の第一原理計算」, 日本物理学会2010年秋季大会. |
| 173. |
多田朋史, 渡邉聡, 「SOFC燃料酸化反応における素電圧の第一原理計算」, 第6回固体イオニクスセミナー. |
| 174. |
多田朋史, 鈴木駿平, 渡邉聡, 「固体酸化物形燃料電池の燃料極局所反応場における酸素拡散に関する動的モンテカルロ計算」, 日本物理学会2011年秋季大会. |
| 175. |
多田朋史, 「単一分子接合における量子輸送特性に関する分子軌道論的理解」, 第６９会表面科学会研究会. |
| 176. |
多田朋史, 渡邉聡, 「固体酸化物形燃料電池におけるヘテロ接合界?の化学的特性に関する電?状態計算」, 第６回分子科学討論会2012東京. |
| 177. |
古山通久, 河野晴彦, 石元孝佳, 原祥太郎, 小倉鉄平, 多田朋史, 梅野宜崇, 松村晶, 鹿園直毅, 電極の材料・構造設計に向けたマルチスケール・マルチフィジックスアプローチ, 第21回SOFC研究発表会. |
| 178. |
多田朋史, 「軌道理論に基づいた化学的キャラクタリゼーションによる機能性材料・デバイス設計の理論的研究と今後の展開」, 第一回元素戦略研究センター（MCES）講演会. |
| 179. |
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 特別企画：界面デバイスの分子科学. |
| 180. |
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. |
| 181. |
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. |
| 182. |
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. |
| 183. |
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. |
| 184. |
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. |
| 185. |
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. |
| 186. |
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. |
| 187. |
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. |
| 188. |
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. |
| 189. |
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. |
| 190. |
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. |
| 191. |
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. |
| 192. |
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. |
| 193. |
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. |
| 194. |
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. |
| 195. |
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. |
| 196. |
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. |
| 197. |
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-. |
| 198. |
多田朋史, 第一原理計算とモンテカルロ計算による原子スケールからの電流シミュレーションと電極材料設計, 第一回材料設計討論会. |
| 199. |
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. |
| 200. |
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. |
| 201. |
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. |
| 202. |
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, コンピュータ化学会. |
| 203. |
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, 固体イオニクス討論会. |
| 204. |
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, 固体イオニクス討論会. |
| 205. |
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. |
| 206. |
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. |
| 207. |
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. |
| 208. |
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. |
| 209. |
多田朋史, 吉澤研と軌道理論, 応用量子化学シンポジウム. |
| 210. |
多田朋史, 準局在状態間トンネル伝導に関する理論的研究, 日本化学会第99回春季年会. |
