OHNO Takahisa 大野隆央

… Alternative Names

Ohno Takahisa 大野隆央

ONO Takahisa 大野隆央

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Researcher Number	30344435
Affiliation (Current)	2025: 国立研究開発法人物質・材料研究機構, ナノアーキテクトニクス材料研究センター, NIMS特別研究員
Affiliation (based on the past Project Information) *help	2016 – 2018: 国立研究開発法人物質・材料研究機構, 国際ナノアーキテクトニクス研究拠点, NIMS招聘研究員 2010: 独立行政法人物質・材料研究機構, 計算科学センター, センター長 2008: National Institute for Materials Science, 計算科学センター, センター長 2008: National Institute for Materials Science, 計算科学センター, センター長 2007 – 2008: 物質・材料研究機構, 計算材料科学研究センター, センター長 … More 2007: National Institute for Materials Science, 計算科学センター, センター長 2006: 物質材料研究機構, 計算材料科学研究センター, センター長 2006: 独立行政法人物質・材料研究機構, 計算科学センター, センター長 2005: 物質・材料研究機構, 計算材料科学研究センター, センター長 2005: 独立行政法人物質・材料研究機構, 計算材料科学研究センター, センター長 Less
Review Section/Research Field	Principal Investigator Nanomaterials chemistry / Science and Engineering Except Principal Investigator Biophysics/Chemical physics / Science and Engineering
Keywords	Principal Investigator 表面・界面物性 / 計算物理 / ナノ材料 / 反応経路探索法 / 実時間開発TDDFT / 拡張アンサンブル法 / 生体系、DNA / 酸化還元反応 / 有機単分子架橋系 / 伝導特性解析シミュレーション … More / 大域的安定構造探索 / オーダーN手法 / 相転移 / スピンクロスオーバー / TDDFT / 励起エネルギー / イオンチャネル / 膜タンパク質 / オーダーN法 / 大規模第一原理計算 / ナノ物質 / 第一原理 … More Except Principal Investigator オーダーN法 / 構造最適化 / 密度汎関数法 / 溶媒効果 / DNA / 第一原理計算 / サブミクロンサイズ / 並列計算 / 擬ポテンシャル法 / GW近似 / KKR法 / 第一原理分子動力学法 / サブクミクロンサイズ / 量子シミュレータ / 物性理論 / 表面・界面物性 / 半導体物性 / ナノコンタクト / 計算物理 / 半導体 / 界面 / 表面 / 分子動力学法 / シミュレーション / 密度汎関数理論 Less

Hybrid quantum-classical simulation of SiC oxidation process by a wide-range search of phase spacePrincipal Investigator
- Principal Investigator
  
  Ohno Takahisa
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Nanomaterials chemistry
- Research Institution
  National Institute for Materials Science
O (N) DFT study on the structural stability of hydrated DNA systems
- Principal Investigator
  
  MIYAZAKI Tsuyoshi
- Project Period (FY)
  2008 – 2010
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Biophysics/Chemical physics
- Research Institution
  National Institute for Materials Science
Development and opening of quantum simulators for submicron-scale systems
- Principal Investigator
  
  MORIKAWA Yoshitada
- Project Period (FY)
  2005 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Osaka University
Development of order-N DFT methods and the application on nano materialsPrincipal Investigator
- Principal Investigator
  
  OHNO Takahisa
- Project Period (FY)
  2005 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  National Institute for Materials Science

All 2019 2018 2017 2016 2009 2008 2007 2006 2005

All Journal Article Presentation Book

[Book] 『計算工学』特集「ペタスケールコンピューティング」2008
- Author(s)
  大野隆央
- Publisher
  日本計算工学会
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Anomalous carbon clusters in 4H-SiC/SiO2 interfaces2019
- Author(s)
  Y. Kagoyama, M. Okamoto, T. Yamasaki, N. Tajima, J. Nara, T. Ohno, H. Yano, S. Harada, and T. Umeda
- Journal Title
  
  J. Applied Physics
  
  Volume: 125 Issue: 6 Pages: 065302-065302
- DOI
  10.1063/1.5066356
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H03830, KAKENHI-PROJECT-17H02781
[Journal Article] Elucidation of the Atomic-Scale Mechanism of the Anisotropic Oxidation Rate of 4H-SiC Between the (0001) Si-Face and (000-1) C-Face by Using a New Si-O-C Interatomic Potential2018
- Author(s)
  So Takamoto, Takahiro Yamasaki, Takahisa Ohno, Chioko kaneta, Asuka Hatano, and Satoshi Izumi
- Journal Title
  
  J. Applied Physics
  
  Volume: 123 Issue: 18
- DOI
  10.1063/1.5028273
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H03830
[Journal Article] First Principles Modeling of Defect-Free Abrupt SiC/SiO2 Interfaces on a- and m-Face 4H-SiC2018
- Author(s)
  Tomoaki Kaneko, Nobuo Tajima, Takahiro Yamasaki, Jun Nara, Tatsuo Schimizu, Koichi Kato, and Takahisa Ohno
- Journal Title
  
  Applied Physics Espress
  
  Volume: 11 Issue: 10 Pages: 101304-101304
- DOI
  10.7567/apex.11.101304
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H03830
[Journal Article] Hybrid Density FunctionalAnalysis on Distribution of Carbon Related Defect Levels at 4H-SiC(0001)/SiO2 Interface2018
- Author(s)
  Tomoaki Kaneko, Nobuo Tajima, Takahiro Yamasaki, Jun Nara, Tatsuo Schimizu, Koichi Kato, and Takahisa Ohno
- Journal Title
  
  Applied Physics Espress
  
  Volume: 11 Issue: 1 Pages: 011302-011302
- DOI
  10.7567/apex.11.011302
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H03830
[Journal Article] First-Principles Study on C=C Defects Near SiC/SiO2 Interface: Defect Passivation by Double-Bond Saturation2018
- Author(s)
  Nobuo Tajima, Tomoaki Kaneko, Takahiro Yamasaki, Jun Nara, Tatsuo Schimizu, Koichi Kato, and Takahisa Ohno
- Journal Title
  
  Jpn. J. Apply. Phys
  
  Volume: 57 Issue: 4S Pages: 04FR09-04FR09
- DOI
  10.7567/jjap.57.04fr09
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H03830
[Journal Article] Atomistic Mechanism of Graphene Growth on a SiC Substrate: Large-Scale Molecular Dynamics Simulations Based on a New Charge-Transfer Bond-Order Type Potential2018
- Author(s)
  So Takamoto, Takahiro Yamasaki, Jun Nara, Takahisa Ohno, Chioko kaneta, Asuka Hatano, and Satoshi Izumi
- Journal Title
  
  Physical Review B
  
  Volume: 97 Issue: 12 Pages: 125411-125411
- DOI
  10.1103/physrevb.97.125411
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-16H03830, KAKENHI-PROJECT-16J08815
[Journal Article] Charge-Transfer Interatomic Potential for Investigation of the Thermal-Oxidation Growth Process of Silicon2016
- Author(s)
  S. Takamoto, T. Kumagai, T. Yamasaki, T. Ohno, C. kaneta, A. Hatano, and S. Izumi
- Journal Title
  
  J. Applied Physics
  
  Volume: 120 Issue: 16 Pages: 165109-165109
- DOI
  10.1063/1.4965863
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-16H03830, KAKENHI-PROJECT-16J08815, KAKENHI-PROJECT-16K05967
[Journal Article] The Energetics of Hut-Cluster Self-Assembly in Ge/Si(001) from Linear-Scaling DFT Calculations2008
- Author(s)
  Tsuyoshi Miyazaki, David R.Bowler, Michael J.Gillan, Takahisa Ohno
- Journal Title
  
  J.Phys.Soc.Jpn. 77
- NAID
  110007021653
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] ナノマテリアルシミュレーションと今後の展開2008
- Author(s)
  大野隆央
- Journal Title
  
  日本計算工学会『計算工学』 13
  
  Pages: 24-27
- NAID
  10021151185
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Dependence of the conduction of a single biphenyl dithiol molecule on the dihedral angle between the phenyl rings and its application to a nano-rectifier2008
- Author(s)
  H. Kondo, J. Nara, H. Kino, and T. Ohno
- Journal Title
  
  J. Chem. Phys 128
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Accuracy of order-N density-functional theory calculations on DNA systems using CONQUEST2008
- Author(s)
  T.Otsuka, T.Miyazaki, T.Ohno, D.R.Bowler, M.J.Gillan
- Journal Title
  
  J.Phys.: Condens.Matter 20
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20540401
[Journal Article] The Energetics of hutcluster self-assembly in Ge/Si(001) from linear-scaling DFT calculations2008
- Author(s)
  T. Miyazaki, D. R. Bowler, M. J. Gillan and T. Ohno
- Journal Title
  
  J. Phys. Soc. Jpn 77
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Accuracy of order-N DFT calculations on DNA systems using CONQUEST2008
- Author(s)
  T. Otsuka, T. Miyazaki, T. Ohno, D. R. Bowler and M. J. Gillan
- Journal Title
  
  J. Phys. Condens. Matter20
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Formation mechanism of one-dimentional Si island on H/Si(001) surface2008
- Author(s)
  J. Nara, H. Kajiyama, T. Hashizume, Y. Suwa, S. Heike, S. Matsuura, T. Hitosugi and T. Ohno
- Journal Title
  
  Phys. Rev. Lett 100
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Electron transport in a pai-stacking molecular chain2008
- Author(s)
  W. T. Geng, M. Oda, J. Nara, H. Kondo, and T. Ohno
- Journal Title
  
  J. Phys. Chem 112
  
  Pages: 2795-2800
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Linear-scaling DFT calculations with the CONQUEST code2007
- Author(s)
  D.R. Bowler, A.S. Torralba, T. Miyazaki, T. Ohno, and M. J. Gillan
- Journal Title
  
  Psi-K NewsLetter 81
  
  Pages: 55-68
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Free energy calculation of water addition coupled to reduction of aqueous RuO40-2007
- Author(s)
  Y. Tateyama, J. Blumberger, T. Ohno, and M. Sprik
- Journal Title
  
  J. Chem. Phys 126
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Theoretical Study on Adsorption of Thiophenethiolate Molecule on Au(111) Surface2006
- Author(s)
  S.Higai, J.Nara, T.Ohno
- Journal Title
  
  Surface Science 600
  
  Pages: 685-692
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Effects of Nitrogen Atom Doping on Dielectric Constants of Hf-based Gate Oxides2006
- Author(s)
  H.Momida, T.Hamada, T.Yamamoto, T.Uda, N.Umezawa, T.Chikyow, K.Shiraishi, T.Ohno
- Journal Title
  
  Appl. Phy. Lett 88
  
  Pages: 112903-112903
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Multiregional Hybrid Method and Its Application : Formation of an Atomic Protrusion at an Atomic Force Microscope Tip Apex2006
- Author(s)
  Y.Nakamura, N.Takahashi, T.Uda, T.Ohno
- Journal Title
  
  Phys. Rev. Lett 97
  
  Pages: 86103-86103
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Multiregional hybrid method and its application : formation of an atomic protrusion at an atomic force microscope tip apex2006
- Author(s)
  Y. Nakamura, N. Takahashi, T. Uda, and T. Ohno
- Journal Title
  
  Phys. Rev. Lett 97
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Contact-structure dependence of transport properties of a single organic molecule between Au electrodes2006
- Author(s)
  H.Kondo, H.Kino, J.Nara, T.Ozaki, T.Ohno
- Journal Title
  
  Phys. Rev. B 73
  
  Pages: 235323-235323
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Theoretical Study on Dielectric Response of Amorphous Alumina2006
- Author(s)
  H.Momida, T.Hamada, Y.Takagi, T.Yamamoto, T.Uda, T.Ohno
- Journal Title
  
  Phys. Rev. B 73
  
  Pages: 54108-54108
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Real-time propagation TD- DFT study on the ringopening trans- formation of the photoexcited crystalline benzene2006
- Author(s)
  Y. Tateyama, N. Oyama, T. Ohno, and Y. Miyamoto
- Journal Title
  
  J. Chem. Phys 124
  
  Pages: 124507-124507
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Real-time propagation TDDFT study on the ring-opening transformation of the photoexcited crystalline benzene2006
- Author(s)
  Yoshitaka Tateyama, Norihisa Oyama, Takahisa Ohno, Yoshiyuki Miyamoto
- Journal Title
  
  Journal of Chemical Physics 124
  
  Pages: 124507-124507
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] First-principles study of Ag adsorption on the H-passivated Si(001) surface with Bi nanoline2006
- Author(s)
  H.Koga, T.Ohno
- Journal Title
  
  Phys. Rev. B 74
  
  Pages: 125405-125405
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Real-Time Propagation Time-Dependent Density Functional Theory Study on the Ring-Opening Transformation of the Photoexcited Crystalline Benzene2006
- Author(s)
  Y.Tateyama, N.Oyama, T.Ohno, Y.Miyamoto
- Journal Title
  
  J. Chem. Phys 124
  
  Pages: 124507-124507
- Data Source
  KAKENHI-PROJECT-17064017
[Journal Article] Theoretical study on adsorption of thiophenthiolate on Au(111) surface2005
- Author(s)
  Shinichi Higai, Jun Nara, Takahisa Ohno
- Journal Title
  
  Surface Science 600・3
  
  Pages: 685-692
- Data Source
  KAKENHI-PROJECT-17064017
[Presentation] 第一原理計算によるa-, m-面上の4H-SiC/SiO2界面モデル構造の構築2018
- Author(s)
  金子智昭、田島暢夫、山崎隆浩、奈良純、清水達雄、加藤弘一、大野隆央
- Organizer
  第79回応用物理学会秋季学術講演会
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] First Principles Study on Hydrogen Intercalation into Buffer Layer Grown on SiC(0001) Surface2018
- Author(s)
  J. Nara, T. Yamasaki, and T. Ohno
- Organizer
  Americas Internartional Meeting on Electrochemistry and Solid State Science (AiMES-2018)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] 第一原理計算によるSiC 界面酸化(窒化)反応機構の解明2018
- Author(s)
  大野隆央
- Organizer
  応用物理学会先進パワー半導体分科会第12 回研究会
- Invited
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] 4H-SiC/SiO2界面O2酸化の第一原理シミュレーション～炭素クラスターの形成と拡散～2018
- Author(s)
  山崎隆浩、田島暢夫、金子智昭、奈良純、清水達雄、加藤弘一、金田千穂子、大野隆央
- Organizer
  第65回応用物理学会春季学術講演会
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] Theoretical study on hydrogen atom behavior under graphene buffer layer grown on SiC substrate2018
- Author(s)
  J. Nara, T. Yamasaki, and T. Ohno
- Organizer
  34th European Conference on Surface Science (ECOSS-34)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] Hydrogen Atom Adsorption on Graphene Buffer Layer Grown on SiC(0001) Surface: First-Principles Study2018
- Author(s)
  J.Nara, T.Yamasaki, T. Ohno
- Organizer
  American Physics Society March Meeting 2018
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] Nano-Second Order Molecular Dynamics Simulations for Graphene Formation Process on SiC2017
- Author(s)
  S. Takamoto, T. Yamasaki, J. Nara, T. Ohno, C. Kaneta, and S. Izumi
- Organizer
  International Symposium on Epitaxial Graphene 2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] Initial Process of Graphene Grown on [11-20] Stepped 4H-SiC(0001) Surface Revealed by First-Principles Molecular Dymanics Simulations2017
- Author(s)
  T. Yamasaki, Y. Ono, J. Nara, and T. Ohno
- Organizer
  International Symposium on Epitaxial Graphene 2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] 分子動力学法によるナノ秒オーダーのSiC表面上のグラフェン成長シミュレーション－6員環の形成2017
- Author(s)
  高本聡、山崎隆浩、奈良純、大野隆央、金田千穂子、泉聡志
- Organizer
  第78回応用物理学会秋季学術講演会
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] 4H-SiC/SiO2界面O2酸化の第一原理シミュレーション～界面における炭素関連欠陥の電子状態～2017
- Author(s)
  山崎隆浩、田島暢夫、金子智昭、奈良純、清水達雄、加藤弘一、大野隆央
- Organizer
  第64回応用物理学会春季学術講演会
- Place of Presentation
  パシフィコ横浜、横浜市
- Year and Date
  2017-03-14
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] Theoretical Study on H Intercalation into Buffer Layer Grown on SiC(0001)2017
- Author(s)
  J. Nara, T. Yamasaki, and T. Ohno
- Organizer
  International Symposium on Epitaxial Graphene 2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] 電荷移動型分子動力学法による4H-SiCの熱酸化シミュレーション2017
- Author(s)
  高本聡、山崎隆浩、大野隆央、金田千穂子、泉聡志、酒井信介
- Organizer
  第64回応用物理学会春季学術講演会
- Place of Presentation
  パシフィコ横浜、横浜市
- Year and Date
  2017-03-14
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] 4H-SiC/SiO2界面におけるNO酸窒化による炭素窒素置換反応2017
- Author(s)
  山崎隆浩、田島暢夫、奈良純、清水達雄、加藤弘一、大野隆央
- Organizer
  第78回応用物理学会秋季学術講演会
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] A First Principles Study on the C=C Defects near SiC/SiO2 Interface: Defect Passivation by Double Bond Saturation2017
- Author(s)
  N. Tajima, T. Kaneko, T. Yamasaki, J. Nara, T. Schimizu, K. Kato, and T. Ohno
- Organizer
  2017 Int. Conf. on Solid State Devices and Materials
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] First principles study on the interaction between hydrogen atoms and the graphene buffer layer grown on the SiC(0001) surface2017
- Author(s)
  J.Nara, T.Yamasaki, T. Ohno
- Organizer
  33th European Conference on Surface Science 2017
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] 4H-SiC/SiO2界面O2酸化の第一原理シミュレーション～SiC(0001)Si面と(000-1)C面の違い～2016
- Author(s)
  山崎隆浩、田島暢夫、金子智昭、清水達雄、加藤弘一、大野隆央
- Organizer
  第77回応用物理学会秋季学術講演会
- Place of Presentation
  朱鷺メッセ、新潟市
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] Thermal Oxidation Simulation of Silicon by Charge Transfer Type Molecular Dynamics2016
- Author(s)
  S. Takamoto, T. Kumagai, T. Yamasaki, T. Ohno, C. kaneta, A. Hatano, and S. Izumi
- Organizer
  Asia-Pacific Conference on Fracture and Strength 2016
- Place of Presentation
  Toyama, Japan
- Year and Date
  2016-09-19
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] SiC表面上のSi熱脱離グラフェン成長機構に関するナノ秒オーダーの長時間分子動力学解析2016
- Author(s)
  今泉俊介、高本聡、山崎隆浩、奈良純、大野隆央、泉聡志
- Organizer
  第77回応用物理学会秋季学術講演会
- Place of Presentation
  朱鷺メッセ、新潟市
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] Carbon Concentration and Carbon Oxides Desorption at Interfaces of 4H-SiC(0001)Si/SiO2 and (000-1)C/SiO2 in Oxidation Processes2016
- Author(s)
  T. Yamsaki, N. Tajima, T. Kaneko, J. Nara, T. Schimizu, K. Kato, and T. Ohno
- Organizer
  11th European Conference on Silicon Carbide and Related Materials
- Place of Presentation
  Halkidiki, Greece
- Year and Date
  2016-09-25
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16H03830
[Presentation] 班報告と分子接合系における量子伝導特性解析2009
- Author(s)
  大野隆央
- Organizer
  特定領域「量子デザイン」A02班ワークショップ特定領域
- Place of Presentation
  大阪大学産業科学研究所
- Year and Date
  2009-01-16
- Data Source
  KAKENHI-PROJECT-17064007
[Presentation] Large-scale DFT calculations on DNA systems with the order-N DFT program CONQUEST2009
- Author(s)
  T. Otsuka, T. Miyazaki, T. Ohno, D. R. Bowler, M. J. Gillan
- Organizer
  14th International Workshop on Computational Physics and Material Science
- Place of Presentation
  The Abdus Salam Internatioanl Centre for Theoretical Physics トリエステ(イタリア)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] 班報告と分子接合系における量子伝導特性解析2009
- Author(s)
  大野隆央
- Organizer
  特定領域「量子デザイン」A02班ワークショップ
- Place of Presentation
  大阪大学産業科学研究所
- Year and Date
  2009-01-16
- Data Source
  KAKENHI-PROJECT-17064007
[Presentation] DNAの構造と電子状態に対するオーダーN法第一原理計算32009
- Author(s)
  大塚教雄, 宮崎剛, 大野隆央, D. R. Bowler, M. J. Gillan
- Organizer
  日本物理学会第64回年次大会
- Place of Presentation
  立教大学東京
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Quantum simulations on nano-structured materials2009
- Author(s)
  T. Ohno
- Organizer
  Japan-Germany JST-DFG Workshop on Nanoelectronics
- Place of Presentation
  Kyoto, Japan
- Year and Date
  2009-01-23
- Data Source
  KAKENHI-PROJECT-17064017
[Presentation] DNAの構造と電子状態に対するオーダーN法DFT計算22008
- Author(s)
  大塚教雄, 宮崎剛, 大野隆央, D. R. Bowler, M. J. Gillan
- Organizer
  第2回分子科学討論会
- Place of Presentation
  福岡国際会議場福岡
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT calculations with the CONQUEST code2008
- Author(s)
  T. Miyazaki, D. R. Bowler, M. J. Gillan, T. Otsuka, T. Ohno
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2008
- Place of Presentation
  Hotel Belvedere Imperial クレタ(ギリシャ)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale density-functional theory study of gramicidin A ion channel geometry and electronic properties2008
- Author(s)
  M. Todorovic, T. Miyazaki, T. Ohno
- Organizer
  E-MRS Fall Meeting 2008
- Place of Presentation
  Warsaw University of Technology ワルシャワ(ポーランド)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT calculations on biological systems with the CONQUEST code2008
- Author(s)
  T. Miyazaki, T. Otsuka, M. Todorovic, T. Ohno, D. R. Bowler, M. J. Gillan
- Organizer
  The 11th Asian Workshop on First-Principles Electronic Structure Calculations
- Place of Presentation
  National Sun Yat-sen University 高雄(台湾)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT calculations on biological systems using a linear-scaling DFT code CONQUEST2008
- Author(s)
  T. Miyazaki, T. Otsuka, M. Todorovic, T. Ohno, D. R. Bowler, M. J. Gillan
- Organizer
  1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  日本科学未来館東京
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Large-scale DFT calculations on biological systems with the CONQUEST code2008
- Author(s)
  T.Miyazaki, T.Otsuka, M.Todorovic, T.Ohno, D.R.Bowler, M.J.Gillan
- Organizer
  The 11th Asian Workshop on First-Principles Electronic Structure Calculations
- Place of Presentation
  高雄(台湾)
- Year and Date
  2008-11-30
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] DNAの構造と電子状態に対するオーダーN法第一原理計算22008
- Author(s)
  大塚教雄, 宮崎剛, 大野隆央, D. R. Bowler, M. J. Gillan
- Organizer
  日本物理学会2008年秋季大会
- Place of Presentation
  岩手大学上田キャンパス岩手
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] DNAの構造と電子状態に対するオーダーN法第一原理計算22008
- Author(s)
  大塚教雄、宮崎剛、大野隆央、D.R.Bowler、M.J.Gillan
- Organizer
  日本物理学会2008年秋季大会
- Place of Presentation
  岩手
- Year and Date
  2008-09-20
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] Applications of the DFT linear scaling code Conquest to biochemical systems2008
- Author(s)
  A. S. Torralba, T. Miyazaki, T. Ohno, D. R. Bowler, M. J. Gillan
- Organizer
  7th European Conference on Computational Chemistry
- Place of Presentation
  San Servolo ベニス(イタリア)
- Data Source
  KAKENHI-PROJECT-20540401
[Presentation] First-principles investigations of molecular functions2007
- Author(s)
  T. Ohno
- Organizer
  Asian consortium on computational materials science(ACCMS-4)
- Place of Presentation
  Seoul, Korea
- Year and Date
  2007-09-15
- Data Source
  KAKENHI-PROJECT-17064017
[Presentation] 酸化還元反応に対するab initio自由エネルギー計算手法の開発2007
- Author(s)
  館山佳尚、J. Blumberger, 大野隆央, M. Sprik
- Organizer
  第一回分子科学討論会
- Place of Presentation
  東北大学、仙台
- Data Source
  KAKENHI-PROJECT-17064017
[Presentation] Water addition along with reduction of aqueous ruthenium complexes by ab initio free energy calculation method for bond breaking/formation coupled to electron transfer2007
- Author(s)
  Y. Tateyama, J. Blumberger, T. Ohno, M. Sprik
- Organizer
  American Chemical Society 234th national meeting&exposition
- Place of Presentation
  Boston Convention & Exhibition Center, Boston, MA
- Data Source
  KAKENHI-PROJECT-17064017

1. MIYAZAKI Tsuyoshi (50354147)

# of Collaborated Projects: 2 results

# of Collaborated Products: 16 results
2. MORIKAWA Yoshitada (80358184)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. AKAI Hisazumi (70124873)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. JYO Takeo (20093487)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. KINO Hiori (70282605)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
6. NISHINO Masamichi (80391217)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. NARA Jun (30354145)

# of Collaborated Projects: 1 results

# of Collaborated Products: 6 results
8. TATEYAMA Yoshitaka (70354149)

# of Collaborated Projects: 1 results

# of Collaborated Products: 6 results
9. OZAKI Taisuke (70356723)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
10. OTSUKA Takao (30465968)

# of Collaborated Projects: 1 results

# of Collaborated Products: 10 results
11. 泉聡志 (30322069)

# of Collaborated Projects: 1 results

# of Collaborated Products: 8 results

OHNO Takahisa 大野 隆央

Ohno Takahisa 大野 隆央

ONO Takahisa 大野 隆央

Research Projects

Research Products

Co-Researchers

Hybrid quantum-classical simulation of SiC oxidation process by a wide-range search of phase spacePrincipal Investigator

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O (N) DFT study on the structural stability of hydrated DNA systems

Principal Investigator

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Development and opening of quantum simulators for submicron-scale systems

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Research Institution

Development of order-N DFT methods and the application on nano materialsPrincipal Investigator

Principal Investigator

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[Book] 『計算工学』特集「ペタスケールコンピューティング」2008

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[Journal Article] Anomalous carbon clusters in 4H-SiC/SiO2 interfaces2019

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Journal Title

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[Journal Article] Elucidation of the Atomic-Scale Mechanism of the Anisotropic Oxidation Rate of 4H-SiC Between the (0001) Si-Face and (000-1) C-Face by Using a New Si-O-C Interatomic Potential2018

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[Journal Article] First Principles Modeling of Defect-Free Abrupt SiC/SiO2 Interfaces on a- and m-Face 4H-SiC2018

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[Journal Article] Hybrid Density FunctionalAnalysis on Distribution of Carbon Related Defect Levels at 4H-SiC(0001)/SiO2 Interface2018

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Data Source

[Journal Article] First-Principles Study on C=C Defects Near SiC/SiO2 Interface: Defect Passivation by Double-Bond Saturation2018

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[Journal Article] Atomistic Mechanism of Graphene Growth on a SiC Substrate: Large-Scale Molecular Dynamics Simulations Based on a New Charge-Transfer Bond-Order Type Potential2018

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[Journal Article] Charge-Transfer Interatomic Potential for Investigation of the Thermal-Oxidation Growth Process of Silicon2016

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DOI

Data Source

[Journal Article] The Energetics of Hut-Cluster Self-Assembly in Ge/Si(001) from Linear-Scaling DFT Calculations2008

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NAID

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[Journal Article] ナノマテリアルシミュレーションと今後の展開2008

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Journal Title

NAID

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[Journal Article] Dependence of the conduction of a single biphenyl dithiol molecule on the dihedral angle between the phenyl rings and its application to a nano-rectifier2008

OHNO Takahisa 大野隆央

Ohno Takahisa 大野隆央

ONO Takahisa 大野隆央