Oshiyama Atsushi 押山淳

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OSHIYAMA Atsushi 押山淳

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Researcher Number	80143361
Other IDs
External Links
Affiliation (based on the past Project Information) *help	2018 – 2023: 名古屋大学, 未来材料・システム研究所, 特任教授 2010 – 2015: The University of Tokyo, 工学(系)研究科(研究院), 教授 2012: 東京大学, 工学系研究科, 教授 2007 – 2011: 東京大学, 大学院・工学系研究科, 教授 2009: 東京大学, 工学系研究科, 教授 … More 2007: 東京大学, 大学院・工学系研究所, 教授 2007: 東京大学, 工学部, 教授 2007: University of Tsukuba, 大学院・数理物質科学研究科, 教授 2007: 筑波大学, 計算科学研究センター, 客員教授 2006: University of Tsukuba, Graduate School of Pure and Applied Sciences, Professor, 大学院数理物質科学研究科, 教授 2004 – 2005: 筑波大学, 大学院・数理物質科学研究科, 教授 1999 – 2003: 筑波大学, 物理学系, 教授 1995 – 1996: 筑波大学, 物理学系, 教授 Less
Review Section/Research Field	Principal Investigator Science and Engineering / Medium-sized Section 29:Applied condensed matter physics and related fields / Nanomaterials/Nanobioscience / 表面界面物性 / Science and Engineering Except Principal Investigator Science and Engineering / Medium-sized Section 21:Electrical and electronic engineering and related fields / 固体物性Ⅰ(光物性・半導体・誘電体) / Thin film/Surface and interfacial physical properties / Biological Sciences
Keywords	Principal Investigator 密度汎関数理論 / 量子論 / コンピューティクス / 電子状態 / ナノ構造 / 計算科学 / 密度汎関数法 / 原子構造 / HPC / バイオ物質 … More / ナノ物質 / タンパク質 / 機械学習 / 深層学習 / 原子反応 / デバイス界面 / エピタキシャル成長 / パワーエレクトロニクス / computational science / Car-Parrinello molecular dynamics / density functional theory / nano-shape / electron state / quantum theory / bio-material / nano-material / Car-Parrinello法 / Car-Parrinello分子動力学法 / Car-Parrinello分子動力学 / ナノ形状 / Nanowire / Nanotube / Nitride Semiconductor / Silicon / First-Principle Molecular Dynamics / Density Functional Theory / Nano-Science / コンダクタンス / SiO_2 / Si / ナノワイヤー / ナノチューブ / 窒化物半導体 / シリコン / 第一原理分子動力学法 / ナノサイエンス / オーダーN / オーダーＮ / 第一原理計算 / 新材料 / 密度行列 / カー・パリネロ分子動力学法 / 京コンピューター / グラフェン / シリコン・ナノワイヤー / ナノ構造・材料 / 実空間手法 / アーキテクチャ / コンピュータ・サイエンス / 量子多体系 / 次世代コンピュータ / コンピュータサイエンス / 電子物性 / 情報科学 / 計算物質科学 / 非平衡ダイナミクス / 複合相関 / 物質科学 / 計算機科学 / 強相関物質 / ナノ構造・物質 / 計算機（情報）科学 / 量子力学 / 半導体 / 表面・界面 / 炭素ナノチューブ / ナノ構造体 … More Except Principal Investigator 第一原理計算 / 界面 / 理論 / 欠陥 / DFT / SiC / 点欠陥 / 量子効果 / 半導体 / ナノ物性 / ナノサイエンス / 電子移動 / 電子励起 / 移動度キラー / 局在 / 電子状態計算 / 有効質量近似 / 界面処理 / 虚時間発展法 / 量子コンピュータ / SiC-MOS / 界面欠陥 / 密度汎関数理論 / 酸化 / ダングリングボンド / Pbcセンタ / α-Ga2O3 / 移動度 / SiC/SiO2 / 単一光子光源 / impurity defect / first-principle calculation / relaxation dynamics / structural change / non-equilibrium material / metastable structure / defect reaction / electronic excitation / 不純物・欠陥 / 緩和ダイナミックス / 構造変化 / 非平衡物質 / 準安定構造 / 欠陥反応 / 磁性 / ナノグラファイト / 内包物質 / 光吸収 / 電子構造計算 / 金属基板 / 内包構造 / ナノチューブ / 電子状態 / 複合構造 / ナノエレクトロニクス / カーボンナノチューブ / 界面準位 / 絶縁体 / 界面反応 / 金属 / 酸化物 / ナノデバイス / 将来デバイス / CL / MBE / AIN / 非輻射再結合 / 陽電子消滅 / 光学測定 / InN / AlN / GaN / 発光ダイナミックス / III族窒化物半導体 / 炭素ナノチューブ / MOSトランジスタ / 半導体デバイス / 新材料 / ナノ界面 / 公開 / 量子シミュレーション / 第一原理計算量子シミュレーション / 物質反応デザイン / 計算機マテリアルデザイン / ヘム / チトクローム酸化酵素 / タンパク質 / プロトン移動 / 量子論 / Si / 化合物半導体 / シリコン / 水素 / 原子移動 / 原子操作 / 荷電制御 Less

Elucidation of SiC-MOS interfaces by developing electronic structure calculation methods
- Principal Investigator
  
  Matsushita Yu-ichiro
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 21:Electrical and electronic engineering and related fields
- Research Institution
  Tokyo Institute of Technology
Multi-scale calculations for complex correlation appearing in SiC oxidation and its impact on electronic properties
- Principal Investigator
  
  Matsushita Yu-ichiro
- Project Period (FY)
  2018 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 21:Electrical and electronic engineering and related fields
- Research Institution
  Tokyo Institute of Technology
Clarification of interface formation and electronic properties of power semiconductors through quantum theoretical computicsPrincipal Investigator
- Principal Investigator
  
  Oshiyama Atsushi
- Project Period (FY)
  2018 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 29:Applied condensed matter physics and related fields
- Research Institution
  Nagoya University
Materials Design thorough Computics: Complex Correlation and Non-Equilibrium DynamicsPrincipal Investigator
- Principal Investigator
  
  OSHIYAMA Atsushi
- Project Period (FY)
  2010 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
Density-Functional Approach to Atomic and Electronic Structures and their Dynamics in Nano-StructuresPrincipal Investigator
- Principal Investigator
  
  OSHIYAMA Atsushi
- Project Period (FY)
  2010 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
Materials Design through Computics: Complex Correlation and Non-equilibrium DynamicsArea Organizer
- Area Organizer
  
  OSHIYAMA Atsushi
- Project Period (FY)
  2010 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Research Institution
  The University of Tokyo
Design and study of nanotube hybrid structure
- Principal Investigator
  
  OKADA Susumu
- Project Period (FY)
  2007 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  University of Tsukuba
Theoretical Design of Nano-Device and Nano-Interface by First Principles Approach
- Principal Investigator
  
  SHIRAISHI Kenji
- Project Period (FY)
  2006 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  University of Tsukuba
Study of point defects and light-emitting dynamics in group-III nitride semiconductors
- Principal Investigator
  
  UEDONO Akira
- Project Period (FY)
  2006 – 2010
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  University of Tsukuba
New development of the theories of nano-interfaces and their application to nano-devices
- Principal Investigator
  
  SHIRAISHI Kenji
- Project Period (FY)
  2006 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Thin film/Surface and interfacial physical properties
- Research Institution
  University of Tsukuba
チトクローム酸化酵素におけるプロトンポンプ機構の電子レベルでの解明
- Principal Investigator
  
  BOERO Mauro
- Project Period (FY)
  2005
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Biological Sciences
- Research Institution
  University of Tsukuba
Quantum Design of Shapes and Functions in Nano- and Bio-MaterialsPrincipal Investigator
- Principal Investigator
  
  OSHIYAMA Atsushi
- Project Period (FY)
  2005 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
  University of Tsukuba
Coordinate Group for Computational Real Materials Design
- Principal Investigator
  
  KASAI Hideaki
- 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
Quantum Theory of Shapes and Properties in Nano-and Bio-Materials : Computational Physics ApproachPrincipal Investigator
- Principal Investigator
  
  OSHIYAMA Atsushi
- Project Period (FY)
  2004 – 2006
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Nanomaterials/Nanobioscience
- Research Institution
  University of Tsukuba
Quantum Theoretical Approach in Exploration of New Functions in Surface Nano-StructuresPrincipal Investigator
- Principal Investigator
  
  OSHIYAMA Atsushi
- Project Period (FY)
  2002 – 2003
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  表面界面物性
- Research Institution
  University of Tsukuba
荷電制御による原子操作
- Principal Investigator
  
  上浦洋一
- Project Period (FY)
  1999 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (B)
- Review Section
  
  Science and Engineering
- Research Institution
  Okayama University
Theoretical Study of Novel Structures of Materials by Electronic Excitation and Unified Model
- Principal Investigator
  
  SHINOZUKA Yuzo
- Project Period (FY)
  1995 – 1996
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  固体物性Ⅰ(光物性・半導体・誘電体)
- Research Institution
  Yamaguchi University

[Book] Ｃａｒ－Ｐａｒｒｉｎｅｌｌｏ　Ｍｏｌｅｃｕｌａｒ　Ｄｙｎａｍｉｃｓ　（Encyclopedia of Nanotechnology）2015
- Author(s)
  B. Mauro and A. Oshiyama
- Total Pages
  10
- Publisher
  Ｓｐｒｉｎｇｅｒ
- Data Source
  KAKENHI-ORGANIZER-22104001
[Book] ポストシリコン半導体2013
- Author(s)
  押山淳　分担執筆：「結晶性半導体エピタキシャル成長の量子論」
- Total Pages
  510
- Publisher
  株式会社エヌ・ティー・エス
- Data Source
  KAKENHI-PLANNED-22104005
[Book] コンピューティクスによる物質デザイン：複合相関と非平衡ダイナミクス　平成２４年度報告書2013
- Author(s)
  押山淳　他
- Total Pages
  150
- Publisher
  自費
- Data Source
  KAKENHI-ORGANIZER-22104001
[Book] 岩波講座【計算科学】計算と物質2012
- Author(s)
  押山淳
- Total Pages
  292
- Publisher
  岩波書店
- Data Source
  KAKENHI-PLANNED-22104005
[Book] Magnetism in Nanometer-scale Materials that Contain No Magnetic Elements in Carbon Based Magnetism, edited by T. Makarova and F. Palacio2006
- Author(s)
  A.Oshiyama, S.Okada
- Total Pages
  18
- Publisher
  Elsevier
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Book] Magnetism in Nanometer-scale Materials that Contain No Magnetic Elements in Carbon Based Magnetism (edited by T.Makarova, F.Palacio)2006
- Author(s)
  A.Oshiyama, S.Okada
- Total Pages
  18
- Publisher
  Elsevier
- Data Source
  KAKENHI-PROJECT-17064002
[Book] Magnetism in Nanometer-scale Materials that Contain No Magnetic Elements in Carbon Based Magnetism, edited by T.Makarova and F.Palacio2005
- Author(s)
  A.Oshiyama, S.Okada
- Total Pages
  18
- Publisher
  Elsevier
- Data Source
  KAKENHI-PROJECT-16310083
[Book] Magnetism in Nanometer-scale Materials that Contain No Magnetic Elements in Carbon Based Magnetism(edited by T.Makarova, F.Palacio)2005
- Author(s)
  A.Oshiyama, S.Okada
- Publisher
  Elsevier
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Book] Magnetism in Nanometer-scale Materials that Contain No Magnetic Elements in Carbon Based Magnetism (edited by T.Makarova and F.Palacio)2005
- Author(s)
  A.Oshiyama, S.Okada
- Total Pages
  18
- Publisher
  Elsevier
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Insight into the step flow growth of gallium nitride based on density functional theory2023
- Author(s)
  My Bui Kieu、Shiraishi Kenji、Oshiyama Atsushi
- Journal Title
  
  Applied Surface Science
  
  Volume: 613 Pages: 155840-155840
- DOI
  10.1016/j.apsusc.2022.155840
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Microscopic physical origin of charge traps in 3D NAND flash memories2023
- Author(s)
  Nanataki Fugo、Iwata Jun-Ichi、Chokawa Kenta、Araidai Masaaki、Oshiyama Atsushi、Shiraishi Kenji
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 62 Issue: SC Pages: SC1038-SC1038
- DOI
  10.35848/1347-4065/acaeb3
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Atomic and electronic structures of interfaces between amorphous (Al2O3)_(1-x)(SiO2)_x and GaN polar surfaces revealed by first-principles simulated annealing technique2023
- Author(s)
  Chokawa Kenta、Shiraishi Kenji、Oshiyama Atsushi
- Journal Title
  
  Journal of Applied Physics
  
  Volume: 133 Issue: 6 Pages: 065301-065301
- DOI
  10.1063/5.0132033
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Chickens or Eggs in the Atomic World: Structures and Electronic Properties of Defects in Semiconductors2022
- Author(s)
  Oshiyama Atsushi
- Journal Title
  
  JPSJ News and Comments
  
  Volume: 19 Pages: 12-12
- DOI
  10.7566/jpsjnc.19.12
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Exploration of a large-scale reconstructed structure on GaN(0001) surface by Bayesian optimization2022
- Author(s)
  Kusaba A.、Kangawa Y.、Kuboyama T.、Oshiyama A.
- Journal Title
  
  Applied Physics Letters
  
  Volume: 120 Issue: 2 Pages: 021602-021602
- DOI
  10.1063/5.0078660
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H00762, KAKENHI-PROJECT-19K12125, KAKENHI-PROJECT-20K15181, KAKENHI-PROJECT-18H03873
[Journal Article] Microscopic identification of stepped SiC(0001) and the reaction site of hydrogen-rich epitaxial growth2022
- Author(s)
  Kimura Tomoya、Chokawa Kenta、Shiraishi Kenji、Oshiyama Atsushi
- Journal Title
  
  Physical Review B
  
  Volume: 106 Issue: 3 Pages: 035309-035309
- DOI
  10.1103/physrevb.106.035309
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Atomic and electronic structures of nitrogen vacancies in silicon nitride: Emergence of floating gap states2022
- Author(s)
  Nanataki Fugo、Shiraishi Kenji、Iwata Jun-ichi、Matsushita Yu-ichiro、Oshiyama Atsushi
- Journal Title
  
  Physical Review B
  
  Volume: 106 Issue: 15 Pages: 155201-155201
- DOI
  10.1103/physrevb.106.155201
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873, KAKENHI-PROJECT-21H04553
[Journal Article] An atomistic insight into reactions and free-energy profiles of NH3 and Ga on GaN surfaces during the epitaxial growth2022
- Author(s)
  Boero Mauro、My Bui Kieu、Shiraishi Kenji、Ishisone Kana、Kangawa Yoshihiro、Oshiyama Atsushi
- Journal Title
  
  Applied Surface Science
  
  Volume: 599 Pages: 153935-153935
- DOI
  10.1016/j.apsusc.2022.153935
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Atomistic insight into the initial stage of graphene formation on SiC(0001) surfaces2022
- Author(s)
  Boero Mauro、Imoto Fumihiro、Oshiyama Atsushi
- Journal Title
  
  Physical Review Materials
  
  Volume: 6 Issue: 9 Pages: 093403-093403
- DOI
  10.1103/physrevmaterials.6.093403
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Microscopic mechanism of adatom diffusion on stepped SiC surfaces revealed by first-principles calculations2021
- Author(s)
  Seino Kaori、Oshiyama Atsushi
- Journal Title
  
  Applied Surface Science
  
  Volume: 561 Pages: 149927-149927
- DOI
  10.1016/j.apsusc.2021.149927
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Defect-free interface between amorphous (Al2O3)_(1-x)(SiO2)_x and GaN(0001) revealed by first-principles simulated annealing technique2021
- Author(s)
  Chokawa Kenta、Shiraishi Kenji、Oshiyama Atsushi
- Journal Title
  
  Applied Physics Letters
  
  Volume: 119 Issue: 1 Pages: 011602-011602
- DOI
  10.1063/5.0047088
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Order-N orbital-free density-functional calculations with machine learning of functional derivatives for semiconductors and metals2021
- Author(s)
  Fumihiro Imoto, Masatoshi Imada, and Atsushi Oshiyama
- Journal Title
  
  Phys. Rev. Res.
  
  Volume: 3 Issue: 3 Pages: 033198-033198
- DOI
  10.1103/physrevresearch.3.033198
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16H06345, KAKENHI-PROJECT-18H03873, KAKENHI-PROJECT-19H00658
[Journal Article] Gallium-gallium weak bond that incorporates nitrogen at atomic steps during GaN epitaxial growth2021
- Author(s)
  K. M. Bui, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Applied Surface Science
  
  Volume: 557
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Absence of oxygen-vacancy-related deep levels in amorphous (Al2O3)_{1-x}(SiO2)_x: First-principles exploration of gate oxides in GaN-based devices2020
- Author(s)
  K. Chokawa, T. Narita, D. Kikuta, T. Kachi, K. Shiozaki, A. Oshiyama and K. Shiraishi
- Journal Title
  
  Physical Review Applied
  
  Volume: 14 Issue: 1
- DOI
  10.1103/physrevapplied.14.014034
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Oxygen Incorporation Kinetics in Vicinal m (10-10) Gallium Nitride Growth by Metal‐Organic Vapor Phase Epitaxy2020
- Author(s)
  Yosho Daichi、Shintaku Fumiya、Inatomi Yuya、Kangawa Yoshihiro、Iwata Jun-Ichi、Oshiyama Atsushi、Shiraishi Kenji、Tanaka Atsushi、Amano Hiroshi
- Journal Title
  
  physica status solidi (RRL) Rapid Research Letters
  
  Volume: 2020 Issue: 6 Pages: 2000142-2000142
- DOI
  10.1002/pssr.202000142
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03770, KAKENHI-PLANNED-16H06418, KAKENHI-PROJECT-18H03873
[Journal Article] Density-Functional Calculations for Structures and Energetics of Atomic Steps and their Implication for Surface Morphology on Si-face SiC Polar Surfaces2020
- Author(s)
  K. Seino and A. Oshiyama
- Journal Title
  
  Physical Review B
  
  Volume: 101 Issue: 19
- DOI
  10.1103/physrevb.101.195307
- NAID
  120006884973
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Microscopic Identification of Surface Steps on SiC by Density-Functional Calculations2020
- Author(s)
  K. Seino and A. Oshiyama
- Journal Title
  
  Material Science Forum (Trans Tech Publications)
  
  Volume: 1004 Pages: 145-152
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Screw dislocation that converts p-type GaN to n-type: Microscopic study on Mg condensation and leakagae current in p-n diodes2020
- Author(s)
  T. Nakano, Y. Harashima, K. Chokawa, K. Shiraishi, A. Oshiyama, Y. Kangawa, S. Usami, N. Mayama, K. Toda, A. Tanaka, Y. Honda, and H. Amano
- Journal Title
  
  Applied Physics Letters
  
  Volume: 117 Issue: 1
- DOI
  10.1063/5.0010664
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Computational study of oxygen stability in vicinal m(10-10)-GaN growth by MOVPE2020
- Author(s)
  Shintaku Fumiya、Yosho Daichi、Kangawa Yoshihiro、Iwata Jun-Ichi、Oshiyama Atsushi、Shiraishi Kenji、Tanaka Atsushi、Amano Hiroshi
- Journal Title
  
  Applied Physics Express
  
  Volume: 13 Issue: 5 Pages: 055507-055507
- DOI
  10.35848/1882-0786/ab8723
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03770, KAKENHI-PROJECT-18H03873, KAKENHI-PLANNED-16H06418
[Journal Article] First-principle study of ammonia decomposition and nitrogen incorporation on the GaN surface in metal organic vapor phase epitaxy2019
- Author(s)
  Bui Kieu My、Iwata Jun-Ichi、Kangawa Yoshihiro、Shiraishi Kenji、Shigeta Yasuteru、Oshiyama Atsushi
- Journal Title
  
  Journal of Crystal Growth
  
  Volume: 507 Pages: 421-424
- DOI
  10.1016/j.jcrysgro.2018.11.031
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03770, KAKENHI-PROJECT-18H03873
[Journal Article] A two-dimensional liquid-like phase on Ga-rich GaN (0001) surfaces evidenced by first principles molecular dynamics2019
- Author(s)
  Bui Kieu My、Boero Mauro、SHIRAISHI Kenji、Oshiyama Atsushi
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 59 Issue: SG Pages: 1-5
- DOI
  10.7567/1347-4065/ab650b
- NAID
  210000157879
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03770, KAKENHI-PROJECT-18H03873
[Journal Article] Energetics of the surface step and its morphology on the 3C-SiC(111) surface clarified by the density-functional theory2019
- Author(s)
  Seino Kaori、Oshiyama Atsushi
- Journal Title
  
  Applied Physics Express
  
  Volume: 13 Issue: 1 Pages: 015506-015506
- DOI
  10.7567/1882-0786/ab598a
- NAID
  210000157618
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03770, KAKENHI-PROJECT-18H03873
[Journal Article] Microscopic mechanism of carbon annihilation upon SiC oxidation due to phosphorus treatment: Density functional calculations combined with ion mass spectrometry2018
- Author(s)
  Kobayashi Takuma、Matsushita Yu-ichiro、Okuda Takafumi、Kimoto Tsunenobu、Oshiyama Atsushi
- Journal Title
  
  Applied Physics Express
  
  Volume: 11 Issue: 12 Pages: 121301-121301
- DOI
  10.7567/apex.11.121301
- NAID
  210000136420
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Structural determination of phosphosilicate glass based on first-principles molecular dynamics calculation2018
- Author(s)
  Kobayashi Takuma、Matsushita Yu-ichiro、Kimoto Tsunenobu、Oshiyama Atsushi
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 58 Issue: 1 Pages: 011001-011001
- DOI
  10.7567/1347-4065/aae89b
- NAID
  210000135187
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03770, KAKENHI-PROJECT-18H03873
[Journal Article] Reaction Pathway of Surface-Catalyzed Ammonia Decomposition and Nitrogen Incorporation in Epitaxial Growth of Gallium Nitride2018
- Author(s)
  Bui Kieu My、Iwata Jun-Ichi、Kangawa Yoshihiro、Shiraishi Kenji、Shigeta Yasuteru、Oshiyama Atsushi
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 122 Issue: 43 Pages: 24665-24671
- DOI
  10.1021/acs.jpcc.8b05682
- NAID
  120006554478
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03873
[Journal Article] Structural stability and energy levels of carbon-related defects in amorphous SiO2 and its interface with SiC2018
- Author(s)
  Matsushita Yu-ichiro、Oshiyama Atsushi
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 57 Issue: 12 Pages: 125701-125701
- DOI
  10.7567/jjap.57.125701
- NAID
  210000149880
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18H03770, KAKENHI-PROJECT-18H03873
[Journal Article] Density-Functional Study of Atomic and Electronic Structures of Multivacancies in Silicon Carbide2016
- Author(s)
  J.-I. Iwata, C. Shinei and A. Oshiyama
- Journal Title
  
  Physical Review B
  
  Volume: 93 Issue: 12
- DOI
  10.1103/physrevb.93.125202
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-ORGANIZER-22104001
[Journal Article] Electron doping through lithium intercalation to interstitial channels in tetrahedrally bonded SiC2015
- Author(s)
  Y. Sakai and A. Oshiyama
- Journal Title
  
  Journal of Applied Physics
  
  Volume: 118 Issue: 17
- DOI
  10.1063/1.4934865
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-ORGANIZER-22104001
[Journal Article] Crossover between silicene and ultra-thin Si atomic layers on Ag (111) surfaces2015
- Author(s)
  Z.-X. Guo and A. Oshiyama
- Journal Title
  
  New Journal of Physics
  
  Volume: 17 Issue: 4 Pages: 045028-045028
- DOI
  10.1088/1367-2630/17/4/045028
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-ORGANIZER-22104001
[Journal Article] Origin of Repulsive Interactions between Bunched Steps on Vicinal Solid Surfaces2015
- Author(s)
  K. Sawada, J.-I. Iwata and A. Oshiyama
- Journal Title
  
  e-J. Surf. Sci. Nanotechnol.
  
  Volume: 13 Issue: 0 Pages: 231-234
- DOI
  10.1380/ejssnt.2015.231
- NAID
  130005071336
- ISSN
  1348-0391
- Language
  English
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-ORGANIZER-22104001
[Journal Article] Structural Stability and Energy-Gap Modulation through Atomic Protrusion in Freestanding Bilayer Silicene2015
- Author(s)
  Y. Sakai and A. Oshiyama
- Journal Title
  
  Physical Review B
  
  Volume: 91 Issue: 20
- DOI
  10.1103/physrevb.91.201405
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-ORGANIZER-22104001
[Journal Article] Energetics, Electron States, and Magnetization in Nearly Zigzag-Edged Graphene Nano-Ribbons2015
- Author(s)
  S. Suda and A. Oshiyama
- Journal Title
  
  J. Phys. Soc. Jpn
  
  Volume: 84 Issue: 2 Pages: 024704-024704
- DOI
  10.7566/jpsj.84.024704
- NAID
  40020360723
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-22104005, KAKENHI-ORGANIZER-22104001
[Journal Article] Structural evolution and optoelectronic applications of multilayer silicene2015
- Author(s)
  Z.-X. Guo, Y.-Y. Zhang, H. Xiang, X.-G. Gong and A. Oshiyama
- Journal Title
  
  Physical Review B
  
  Volume: 92 Issue: 20
- DOI
  10.1103/physrevb.92.201413
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-22104001
[Journal Article] Density-Functional Study of Atomic and Electronic Structures of Multivacancies in Silicon Carbide2015
- Author(s)
  Y. Sugihara, K. Uchida and A. Oshiyama
- Journal Title
  
  Journal of the Physical Society of Janan
  
  Volume: 84
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-ORGANIZER-22104001
[Journal Article] Large-Scale Real-Space Density-Functional Calculations: Moire-Induced Electron Localization in Graphene2015
- Author(s)
  A. Oshiyama, J.-I. Iwata, K. Uchida and Y. Matsushita
- Journal Title
  
  J. Appl. Phys.
  
  Volume: 117 Issue: 11 Pages: 112811-112811
- DOI
  10.1063/1.4913837
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-22104005, KAKENHI-ORGANIZER-22104001
[Journal Article] Atomic corrugation and electron localization due to Moire patterns in twisted bilayer graphenes2014
- Author(s)
  K. Uchida, S. Furuya, J.-I. Iwata and A. Oshiyama
- Journal Title
  
  Phys. Rev. B
  
  Volume: 90 Issue: 15 Pages: 155451-155451
- DOI
  10.1103/physrevb.90.155451
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Surface energy of Si(110)- and 3C-SiC(111)-terminated surfaces2014
- Author(s)
  E. K. K. Abavare, I.-I. Iwata, A. Yaya and A. Oshiyama,
- Journal Title
  
  Phys. Status Solidi B
  
  Volume: 251 Issue: 7 Pages: 1408-1415
- DOI
  10.1002/pssb.201350335
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Structural Tristability and Deep Dirac States in Bilayer Silicene on Ag(111) Surfaces2014
- Author(s)
  Z.-X. Guo and A. Oshiyama
- Journal Title
  
  Phys. Rev. B
  
  Volume: 89 Issue: 15 Pages: 155418-155418
- DOI
  10.1103/physrevb.89.155418
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Diameter-Selective Alignment of Carbon Nanotubes on Si(001) Stepped Surfaces2014
- Author(s)
  B. Enkhtaivan, M. Yoshimura, J.-I. Iwata, and A. Oshiyama
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 140 Issue: 4 Pages: 44713-44713
- DOI
  10.1063/1.4862830
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Magic Angle and Height Quantization in Nanofacets on SiC(0001) Surfaces2014
- Author(s)
  K. Sawada, J.-I. Iwata adn A. Oshiyama
- Journal Title
  
  Appl. Phys. Lett.
  
  Volume: 104 Issue: 5 Pages: 51605-51605
- DOI
  10.1063/1.4864295
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Electron Confinement due to Stacking Control of Atomic Layers in SiC Polytypes: Role of Floaing States and Spontaneous Polarization2014
- Author(s)
  Y.-i. Matsushita S. Furuya, and A. Oshiyama
- Journal Title
  
  J. Phys. Soc. Jpn.
  
  Volume: 83 Issue: 9 Pages: 094713-094713
- DOI
  10.7566/jpsj.83.094713
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Interstitial Channels that Control Band Gaps and Effective Masses in Tetrahedrally Bonded Semiconductors2014
- Author(s)
  Y. Matsushita and A. Oshiyama
- Journal Title
  
  Phys. Rev. Lett.
  
  Volume: 112 Issue: 13 Pages: 136403-136403
- DOI
  10.1103/physrevlett.112.136403
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Performance evaluation of ultra-large scale first-principles electronic structure calculation code on the K computer2013
- Author(s)
  Y. Hasegawa, J.-I. Iwata, M. Tsuji, D. Takahashi, A. Oshiyama, K. Minami, T. Boku, H. Inoue, Y. Kitazawa, I. Miyoshi, M. Yokokawa
- Journal Title
  
  The International Journal of High Performance Computing Applications
  
  Volume: online first version Oct 17 Issue: 3 Pages: 508163-508163
- DOI
  10.1177/1094342013508163
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Absence and Presence of Dirac Electrons in Silicene on Substrates2013
- Author(s)
  Z.-X. Guo, S. Furuya, J.-I. Iwata and A. Oshiyama
- Journal Title
  
  Phys. Rev. B
  
  Volume: 87 Issue: 23 Pages: 235435-235435
- DOI
  10.1103/physrevb.87.235435
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Firtst-Principles Study of Nanofacet Formation on 4H-SiC(0001) Surface2013
- Author(s)
  K. Sawada, J.-I. Iwata and A. Oshiyama
- Journal Title
  
  Proc. Int. Conf. Silicon Carbide and Related Materials (ICSCRM)
  
  Volume: 201 Pages: 778-780
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Atom-Scale Reaction Pathways and Free-Energy Landscapes in Oxygen Plasma Etching of Graphene2013
- Author(s)
  K. Koizumi, M. Boero, Y. Shigeta, and A. Oshiyama
- Journal Title
  
  J. Phys. Chem. Letters
  
  Volume: 4 Issue: 10 Pages: 1592-1592
- DOI
  10.1021/jz400666h
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005, KAKENHI-PUBLICLY-25104716
[Journal Article] Atomic Reconstruction and Electron States at Interfaces between 3C-SiC(111) and Si(110)2013
- Author(s)
  E. K. K. Abavare, J.-I. Iwata and A. Oshiyama
- Journal Title
  
  Phys. Rev. B
  
  Volume: 87 Issue: 23 Pages: 235321-235321
- DOI
  10.1103/physrevb.87.235321
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Large-Scale Electronic-Structure Calculations in the Real-Space Scheme: Bilayer Graphene and Silicene2013
- Author(s)
  K. Uchida, Z.-X. Guo, J.-I. Iwata and A. Oshiyama
- Journal Title
  
  Proc. JSAP-MRS Joint Symposia
  
  Volume: 1595 Pages: 1190-1190
- DOI
  10.1557/opl.2013.1190
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] New identification of Metallic Phases of In Atomic layers on Si(111) Surfaces2013
- Author(s)
  K. Uchida and A. Oshiyama
- Journal Title
  
  Phys. Rev. B
  
  Volume: 87 Issue: 16 Pages: 165433-165433
- DOI
  10.1103/physrevb.87.165433
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Absence of Dirac Electrons in Silicene on Ag(111) Surfaces2013
- Author(s)
  Z.-X. Guo, S. Furuya, J.-I. Iwata and A. Oshiyama
- Journal Title
  
  J. Phys. Soc. Jpn.
  
  Volume: 82 Issue: 6 Pages: 63714-63714
- DOI
  10.7566/jpsj.82.063714
- NAID
  210000132584
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] コンピューティクスによる物質デザイン:複合相関と非平衡ダイナミクス平成23年度成果報告書2012
- Author(s)
  押山淳, 他
- Journal Title
  
  冊子形式
  
  Pages: 150-150
- Data Source
  KAKENHI-ORGANIZER-22104001
[Journal Article] 第一原理に基づく物質計算の現状と展望2012
- Author(s)
  押山淳
- Journal Title
  
  日本シミュレーション学会誌
  
  Volume: 31 Pages: 11-11
- NAID
  110009437348
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Structural stability and energy bands of Si nanowires along[110] direction2011
- Author(s)
  D.Sung, J.-I.Iwata, A.Oshiyama
- Journal Title
  
  Proc.30th Int.Conf.Physics on Semiconductors (Seoul, July 26-30, 2010).
  
  Volume: (印刷中)(掲載確定)
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Si Nanowire FET and Its Modeling2011
- Author(s)
  H.Iwai, K.Natori, K.Shiraishi, J.-I.Iwata, A.Oshiyama, K.Yamada, K.Ohmori, K.Kakushima, P.Ahmet
- Journal Title
  
  Science China
  
  Volume: 54 Pages: 1004-1011
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Selective Alignment fo Carbon Nanotubes on Supphire Surfaces : Bond Formation between Nanotubes and Substrates2011
- Author(s)
  S.Jeong, A.Oshiyama
- Journal Title
  
  Phys.Rev.Lett.
  
  Volume: 107 Pages: 65501-65501
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] コンピューティクスによる物質デザイン:複合相関と非平衡ダイナミクス平成22年度成果報告書2011
- Author(s)
  押山, 他
- Journal Title
  
  冊子形式
  
  Volume: 1 Pages: 78-78
- Data Source
  KAKENHI-ORGANIZER-22104001
[Journal Article] Large-Scale First-Principles Electronic Structure Calculations for Silicon Nanostructures2011
- Author(s)
  J.-I.Iwata, A.Oshiyama, K.Shiraishi
- Journal Title
  
  Proc.30th Int.Conf.Physics on Semiconductors (Seoul, July 26-30, 2010)
  
  Volume: (印刷中)(掲載確定)
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] First-principle Study of Energy-Band Control by Cross-Sectional Morphology in [110]-Si NanoWires2011
- Author(s)
  S.Kyogoku, J.-I.Iwata, A.Oshiyama
- Journal Title
  
  Proc.IEEE Int.Conf.Nanotechnology (Portland, August 2011)
  
  Pages: 1322-1326
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Comparative study of hybrid functionals applied to structural and electronic properties of semiconductors and insulators2011
- Author(s)
  Y.Matsushita, K.Nakamura, A.Oshiyama
- Journal Title
  
  Phys.Rev.B
  
  Volume: 84 Pages: 75205-75205
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] 磁性元素が関与しない磁性?界面・点欠陥の役割を予測2011
- Author(s)
  合田義弘, 押山淳, 常行真司
- Journal Title
  
  日本物理学会誌
  
  Volume: 66 Pages: 836-836
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Large-scale electronic-structurte calculations for nanomaterials in density functionl theory2011
- Author(s)
  A.Oshiyama, J.-I.Iwata
- Journal Title
  
  J.Phys : Conferenece Seris
  
  Volume: 302 Pages: 12030-12030
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Structure, spin, and charge of decavacancy V10 in crystalline silicon2011
- Author(s)
  K.Uchida, A.Oshiyama
- Journal Title
  
  Proc.30th Int.Conf.Physics on Semiconductros (Seoul, July 26-30, 2010)
  
  Volume: (印刷中)(掲載確定)
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] First-principles calculations of electron states of a silicon nanowire with 100,000 atoms on the K computer2011
- Author(s)
  Y.Hasegawa, J.-I.Iwata, M.Tsuji, D.Takahashi, A.Oshiyama, K.Minami, T.Boku, R.Shoji, A.Uno, M.Kurokawa, H, Inoue, I.Miyoshi, M.Yokokawa
- Journal Title
  
  Proceedings of 2011 International Conference for High Performance Computing, Networking, Storage and Analysis (ACM DIGITAL LIBRARY)
  
  Pages: 11-11
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] Self-diffusion in crystalline silicon : Car-Parrinello molecular dynamics study2011
- Author(s)
  K.Koizumi, M.Boero, Y.Shigeta, A.Oshiyama
- Journal Title
  
  Phys.Rev B
  
  Volume: 84 Pages: 205203-205203
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] A massively-parallel electronic-structure calculations based on real-space density functional theory2010
- Author(s)
  J-I, Iwata, D. Takahashi, A. Oshiyama, T. Boku, K. Shiraishi, S. Okada, K. Yabana
- Journal Title
  
  J. Comp. Phys. 229
  
  Pages: 2339-2363
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18063003
[Journal Article] Atomic and Electronic Structures of α-Al2O3 Surfaces2010
- Author(s)
  T.Kurita, K.Uchida, A.Oshiyama
- Journal Title
  
  Phys.Rev.B
  
  Volume: 82
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-22104005
[Journal Article] First-Prinicple Study on In-related Nitride" Smiconductors2009
- Author(s)
  T. Obata, J.-I. Iwata, K. Shiraishi and A. Oshiyama
- Journal Title
  
  J. Cryst. Growth (印刷中)(掲載確定)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Significant change in electronic structures of heme upon reduction by strong coulomb repulsion between Fe d electrons2009
- Author(s)
  K. Kamiya, S. Yamamoto, K. Shiraishi and A. Oshiyama
- Journal Title
  
  J. Phys. Chem. B 113
  
  Pages: 6886-6886
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] A Significant Change in Electronic Structures of Heme Upon Reduction by Strong Coulomb Repulsion between Fe $d$ Electrons2009
- Author(s)
  K. Kamiya, S. Yamamoto, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Journal of Physical Chemistry B (印刷中)(掲載確定)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] First principles studies on In-related nitride semiconductors2009
- Author(s)
  T. Obata, J-I. Iwata, K. Shiraishi and A. Oshiyama
- Journal Title
  
  J. Cryst. Growth (印刷中)(掲載確定)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Effects of Hydrogen-Bonding Environments on Protonation States around the Entrance of Proton Transfer Pathways in Cytochrome c Oxidase, AIP conference proceedings "Theory and Application of Computational Chemistry"2009
- Author(s)
  K.Kamiya, Y. Shigeta, A. Oshiyama
- Journal Title
  
  AIP Conference Proceedings 1102
  
  Pages: 257-257
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Significant Change in Electronic Structures of Heme Upon Reduction by Strong Coulomb Repulsion between Fe d Electrons2009
- Author(s)
  K. Kamiya, S. Yamamoto, K. Shiraishi, A. Oshiyama
- Journal Title
  
  J. Phys. Chem. B 113
  
  Pages: 6866-6872
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18063003
[Journal Article] Electronic- structure calculations for carbonnanotube capacitor with a dielectric medium2009
- Author(s)
  K. Uchida and A. Oshiyama
- Journal Title
  
  Phys. Rev. B (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Intrinsic ferromagnetism due to cation vacancies in Gd-doped GaN : First-principles calculations2008
- Author(s)
  Y. Gohda and A. Oshiyama
- Journal Title
  
  Phys. Rev. B 78
  
  Pages: 161201-161201
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Intrinsic ferromagnetism due to cation vacancies in Gd-doped GaN : First-principles calculations2008
- Author(s)
  Y. Gohda and A. Oshiyama
- Journal Title
  
  Physical Review B 78
  
  Pages: 161201-161201
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] A new crystalline phase of four-fold coordinated silicon and gremanium2008
- Author(s)
  Y. Fujimoto, T. Koretsune, S. Saito, T. Miyake, and A. Oshiyama
- Journal Title
  
  New Journal of Physics 10
  
  Pages: 83001-83001
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] 'Chemical Controllability of Charge States of Nitrogen-Related Defects in HfO$_x$N$ y$ : First-Principles Calculations2008
- Author(s)
  N. Umezawa, K. Shiraishi, Y. Akasaka, A. Oshiyama, S. Inumiya, S. Miyazaki, K. Ohmori, T. Chikyow, T. Ohno_ K. Yamahe. Y. Nara.
- Journal Title
  
  Physical Review B 77
  
  Pages: 165130-165130
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Ge vacancies at Ge/Si interfaces : stress enhanced pairing distrotion2008
- Author(s)
  K. Takai, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Phys. Rev. B77
  
  Pages: 45308-45308
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Large-scale density-functional calculations on Si divacancies2008
- Author(s)
  J. -I. Iwata, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Phys. Rev. B77
  
  Pages: 115208-115208
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Intrinsic ferromagnetism due to cation vacancies in Gd-doped GaN, "First principles simulation"2008
- Author(s)
  Y. Gohda and A. Oshiyama
- Journal Title
  
  Phys. Rev B 78
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-18069001
[Journal Article] Possible proton transfer mechanism through peptide groups in the H-pathway of the bovine cytochrome c oxidas2008
- Author(s)
  K. Kamiya, M. Boero, M. Tateno, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Biochimica et Biophysica Acta-Bioenergetics 1777
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Intrinsic ferromagnetism due to cation vacancies in Gd-doped GaN, "First principles simulation"2008
- Author(s)
  Y.Gohda, A.Oshiyama
- Journal Title
  
  Phys.Rev.B 78
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-18069001
[Journal Article] Large-scale density-functional calculations on silicon divacancies.2008
- Author(s)
  J. Iwata, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Physics Beview B77
  
  Pages: 115280-115280
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Ge vacancies at Ge/Si interfaces: Stress-enhanced pairing dist ortion2008
- Author(s)
  K., Takai・K., Shiraishi・A., Oshiyama
- Journal Title
  
  PHYSICAL REVIEW B 77
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18063003
[Journal Article] Ge Vacancies at Ge/Si Interfacee: Stress Enhanced Pairing Distrotion2008
- Author(s)
  K. Takai, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Physics Beview B77
  
  Pages: 45308-45308
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Generation of Acceptor Levels in Ge by the Uniaxial Strain-A Theoretical Approach-2008
- Author(s)
  K. Takai, K. Shiraishi and A. Oshiyama
- Journal Title
  
  ECS Trans 16
  
  Pages: 261-266
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Ge vacancies at Ge/Si interfaces: Stress-enhanced pairing distortion2008
- Author(s)
  K. Takai, K. Shiraishi, A. Oshiyama
- Journal Title
  
  PHYSICAL REVIEW B 77
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18360017
[Journal Article] Atomic and electronic structures of divacancy in carbon nanotubes2008
- Author(s)
  S. Berber and A. Oshiyama
- Journal Title
  
  Phys. Rev. B77
  
  Pages: 165405-165405
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Atomic and Electronic Structures of Divacancy in Carbon Nanotubes2008
- Author(s)
  S. Berber and A. Oshiyama
- Journal Title
  
  Physical Review B 77
  
  Pages: 165405-165405
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Chemical controllability of charge states of nitrogen-related defects in HfOxNy : First-principles calculations2008
- Author(s)
  N. Umezawa, K. Shiraishi, Y. Akasaka, A. Oshiyama, 他8名
- Journal Title
  
  Phys. Rev. B77
  
  Pages: 165130-165130
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Novel Mechanism for Proton Transfer in Bovine Cytochrome c Oxidase2007
- Author(s)
  K. Kamiya, M. Boero, M. Tateno, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Journal of Physics: Condensed Matter 19
  
  Pages: 365220-365220
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Quantum effects in a double-walled carbon nanotube capacitor2007
- Author(s)
  K. Uchida, S. Okada, K. Shiraishi, and A. Oshiyama
- Journal Title
  
  PHYSICAL REVIEW B 76(15) : Art. No. 155436 OCT
- NAID
  120007139048
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18360017
[Journal Article] Possible mechanism of proton transfer through peptideg Groups in the H pathway of the Bovine Cytochrome c Oxidase2007
- Author(s)
  K. Kamiya, M. Boero, M. Tateno, K. Shiraishi and A. Oshiyama
- Journal Title
  
  J. Ame. Chem. Soc. 129
  
  Pages: 9663-9663
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Formation of Titanium-carbide in nanospace of C78 fullerenes2007
- Author(s)
  M.Otani, S.Okada, A, Oshiyama
- Journal Title
  
  Chemical Physics Letters 438
  
  Pages: 274-278
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054002
[Journal Article] Quantum effects in a double-walled carbon nanotube capacitor2007
- Author(s)
  K. Uchida, S. Okada, K. Shiraishi, A. Oshiyama
- Journal Title
  
  PHYSICAL REVIEW B 76(15)
  
  Pages: 155436-155436
- NAID
  120007139048
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18063003
[Journal Article] Quantum effects in double-walled carbon nanotube capacitor2007
- Author(s)
  K, Uchida, S. Okada, K. Shiraishi, and A. Oshiyama
- Journal Title
  
  Phys. Rev. B 76
  
  Pages: 155436-155436
- NAID
  120007139048
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054002
[Journal Article] Energetics of ice nanotubes and their encapsulation in carbon nanotubes from density-functional theory2007
- Author(s)
  T. Kurita, S. Okada, and A. Oshiyama
- Journal Title
  
  Physical Review B 75
  
  Pages: 205424-205424
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054002
[Journal Article] Formation of titanium-carbide in a nanospace of C_<78>2007
- Author(s)
  M. Otani, S. Okada and A. Oshiyama
- Journal Title
  
  Chem. Phys. Lett. 438
  
  Pages: 274-274
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Quantum effects in a cylindrical carbon-nanotube capacito2007
- Author(s)
  K., Uchida・S., Okada・K., Shiraishi・A., Oshiyama
- Journal Title
  
  JOURNAL OF PHYSICS-CONDENSED MATTER 19
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18063003
[Journal Article] Possible Mechanism of Proton Transfer through Peptide Groups in the H-pathway of the Bovine Cytochrome c Oxidase2007
- Author(s)
  K. Kamiya, M. Boero, M. Tateno, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Journal of the American Chemical Society 129
  
  Pages: 9663-9673
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Energetics of Ice Nanotubes and their Encapsulation in Carbon. Nanotubes from Density-Functional Theory2007
- Author(s)
  T. Kurita, S. Okada, A. Oshiyama
- Journal Title
  
  Physics Review B75
  
  Pages: 205424-205424
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Quantum effects in a cylindrical carbon-nanotube capacitor2007
- Author(s)
  K. Uchida, S. Okada, K. Shiraishi, and A. Oshiyama
- Journal Title
  
  OURNAL OF PHYSICS-CONDENSED MATTER 19 (36) : Art. No. 365218
- Data Source
  KAKENHI-PROJECT-18063003
[Journal Article] Energetics of ice nanotubes and their encapsulation in carbon nanotubes from density- functional theory2007
- Author(s)
  T. Kurita, S. Okada and A. Oshiyama
- Journal Title
  
  Phys. Rev. B75
  
  Pages: 205424-205424
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Quantum effects in a double-walled carbon nanotube capacitor2007
- Author(s)
  K., Uchida・S., Okada・K., Shiraishi・A., Oshiyama
- Journal Title
  
  PHYSICAL REVIEW B 76
- NAID
  120007139048
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18063003
[Journal Article] Quantum effects in double- walled carbon nanotubec capacitor2007
- Author(s)
  K. Uchida, S. Okada, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Phys. Rev. B76
  
  Pages: 155436-155436
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Quantum Effects in Cylindrical Carbon-Nanotube Capacitor2007
- Author(s)
  K. Uchida, S. Okada, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Journal of Physics: Condensed Matter 19
  
  Pages: 365218-365218
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Formation of titanium-carbide in a nanospace of C782007
- Author(s)
  M. Otani, S. Okada and A. Oshiyama
- Journal Title
  
  Chemical Physics Letters 438
  
  Pages: 274-274
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Quantum Effects in Double-Walled Carbon Nanotube Capacitor2007
- Author(s)
  K. Uchida, S. Okada, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Physics Beview B76
  
  Pages: 155436-155436
- NAID
  120007139048
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Quantum effects in a double-walled carbon nanotube capacitor2007
- Author(s)
  K. Uchida, S. Okada, K. Shiraishi, and A. Oshiyama
- Journal Title
  
  PHYSICAL REVIEW B 76 (15) : Art. No. 155436
- NAID
  120007139048
- Data Source
  KAKENHI-PROJECT-18063003
[Journal Article] Quantum effects in cylindrical carbon-nanotube capacitor2007
- Author(s)
  K, Uchida, S. Okada, K. Shiraishi, and A. Oshiyama
- Journal Title
  
  J. Phys.: Condensed Matter 19
  
  Pages: 365218-365218
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054002
[Journal Article] Enol-to-Keto Tautomerism of Peptide Groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  J.Phys.Chem B 110
  
  Pages: 4443-4450
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Real-space Density-functional Calculations for Si Divacancies with Large Size Supercell Models2006
- Author(s)
  J.-I.Iwata, A.Oshiyama, K.Shiraishi
- Journal Title
  
  Physica B (In press)
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Real-space Density-Functional Cal- culations for Si Divacancies with Large Size Supercell Models2006
- Author(s)
  J.-I.Iwata, A.Oshiyama, K.Shiraishi
- Journal Title
  
  Physica B 376-377
  
  Pages: 196-196
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Enol-to-Keto Tautomerism of Peptide Groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  J. Phys. Chem B 110
  
  Pages: 4443-4450
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Reconstruction of Mono-Vacancies in Carbon Nanotubes : Atomic Relaxation vs. Spin Polarization2006
- Author(s)
  S.Berber, A.Oshiyama
- Journal Title
  
  Physica B 376-377
  
  Pages: 272-272
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] First-principle Molecular Dynamics Study of Bond Disruption and Formation in SiO_2 upon Irradiation2006
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Physica B 376-377
  
  Pages: 945-945
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Enhances Si and B diffusion in Smiconductir-Grade SiO_2 and the Effect of Strain on Diffusion2006
- Author(s)
  M.Uematsu, H.Kageshima, S.Fukatsu, K.M.Itoh, K.Shiraishi, M, Otani, A.Oshiyama
- Journal Title
  
  Thin Solid Films 508
  
  Pages: 270-270
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Atomic and Electronic Structures of Carbon Nanotubes on Si(001) Stepped Surfaces2006
- Author(s)
  S.Berber, A.Oshiyama
- Journal Title
  
  Phys. Rev. Lett 96
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Enhanced Si and B diffusion in Semiconductor-Grade SiO_2 and the Effect of Strain on Diffusion2006
- Author(s)
  M.Uematsu, H.Kageshima, S.Fukatsu, K.M.Itoh, K.Shiraishi, M.Otani, A.Oshiyama
- Journal Title
  
  Thin Solid Films 508
  
  Pages: 270-270
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Atomic and electronic structures of carbon nanotubes on Si(001) stepped surfaces2006
- Author(s)
  S. Berber and A. Oshiyama
- Journal Title
  
  Phys. Rev. Lett. 96
  
  Pages: 105505-105505
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Enol-to-Keto Tautomerism of Peptide Groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Journal of Physical Chemistry B 110
  
  Pages: 4433-4433
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Real-space Density-Functional Cal- culations for Si Divacancies with Large Size Supercell Models2006
- Author(s)
  J.-I.Iwata, A.Oshiyama, K.Shiraishi
- Journal Title
  
  Physica B 376-377
  
  Pages: 196-199
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Enhanced Si and B diffusion in Smiconductir-Grade SiO_2 and the Effect of Strain on Diffusion2006
- Author(s)
  M.Uematsu, H.Kageshima, S.Fukatsu, K.M.Itoh, K.Shiraishi, M.Otani, A.Oshiyama
- Journal Title
  
  Thin Solid Films 508
  
  Pages: 270-270
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Atomic and Electronic Structures of Carbon Nanotubes on Si(001) Stepped Surfaces2006
- Author(s)
  S.Berber, A.Oshiyama
- Journal Title
  
  Phys.Rev.Lett 96
  
  Pages: 105505-105505
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] First-principle Molecular Dynamics Study of Bond Disruption and Formation in SiO_2 upon Irradiation2006
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Physica B 376-377
  
  Pages: 945-950
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Atomic and Electronic Structures of Carbon Nanotubes on Si(001) Stepped Surfaces2006
- Author(s)
  S.Berber, A.Oshiyama
- Journal Title
  
  Phys.Rev.Lett. (In press)
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Enol-to-keto Tautomerism of Peptide Groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Journal of Physical Chemistry B 110
  
  Pages: 4443-4443
- Data Source
  KAKENHI-PROJECT-17053002
[Journal Article] Reconstruction of mono-vacancies in carbon nanotubes : atomic relaxation vs. spin polarization2006
- Author(s)
  S.Berber, A.Oshiyama
- Journal Title
  
  Physica B (In press)
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Enhanced Si and B diffusion in Smiconductir-Grade SiO_2 and the Effect of Strain on Diffusion2006
- Author(s)
  M.Uematsu, H.Kageshima, S.Fukatsu, K.M.Itoh, K.Shiraishi, M.Otani, A.Oshiyama
- Journal Title
  
  Thin Solid Films 508
  
  Pages: 270-270
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Real-space Density-Functional Cal-culations for Si Divacancies with Large Size Super cell Models2006
- Author(s)
  J.I.Iwata, A.Oshiyama, K.Shiraishi
- Journal Title
  
  Physica B 376-377
  
  Pages: 196-196
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Reconstruction of Mono-Vacancies in Carbon Nanotubes : Atomic Relaxation vs. Spin Polarization2006
- Author(s)
  S.Berber, A.Oshiyama
- Journal Title
  
  Physica B 376-377
  
  Pages: 272-272
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Atomic and Electronic Structures of Carbon Nanotubes on Si(001) Stepped Surfaces2006
- Author(s)
  S.Berber, A.Oshiyama
- Journal Title
  
  Phys.Rev.Lett. (In press)
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Enol-to-keto tautomerism of peptide groups2006
- Author(s)
  K. Kamiya, M. Boero, K. Shiraishi and A. Oshiyama
- Journal Title
  
  J. Phys. Chem. B110
  
  Pages: 4443-4443
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Atomic and Electronic Structures of Carbon Nanotubes on Si(001) Stepped Surfaces2006
- Author(s)
  S.Berber, A.Oshiyama
- Journal Title
  
  Phys.Rev.Lett. 96
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Enol-to-Keto Tautomerism of Peptide Groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 4443-4443
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Enol-to-Keto Tautomerism of Peptide Groups2006
- Author(s)
  K.Kamiya, M.Boero, K.Shiraishi, A.Oshiyama
- Journal Title
  
  J.Phys.Chem.B 110
  
  Pages: 4443-4443
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] First-principle molecular dynamics study of bond disruption and formation in SiO_2 upon irradiation2006
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Physica B (In press)
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] First-principle Molecular Dynamics Study of Bond Disruption and Formation in SiO2 upon Irradiation2006
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Physica B
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Real-space Density-Functional Calculations for Si Deviancies with Large Size Supercell Models2006
- Author(s)
  J.-I.Iwata, A.Oshiyama, K.Shiraishi
- Journal Title
  
  Physica B
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Free Energy Molecular Dynamics Simulations of Pulsed-Laser-Irradiated SiO22005
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Appl.Phys.Lett 86
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Free Energy Molecular Dynamics Simulations of Pulsed-Laser-Irradiated SiO_22005
- Author(s)
  M.Boero, A.Oshiyama, P.L.Sivestrelli, K.Murakami
- Journal Title
  
  Appl.Phys.Lett 86
  
  Pages: 201910-201910
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Double-Metal-Ion/Single-Metal-Ion Mechanisms of the Cleavage Reaction of Ribozymes2005
- Author(s)
  M.Boero, M.Tateno, K.Terakura, A.Oshiyama
- Journal Title
  
  J.Chem.Theory and Computation 1
  
  Pages: 925-925
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Electronic Structure of Semiconducting Nanotubes Adsorbed on Metal Surfaces2005
- Author(s)
  S.Okada, A.Oshiyama
- Journal Title
  
  Physical.Review.Letters 95
  
  Pages: 206804-206804
- NAID
  120007131628
- Data Source
  KAKENHI-PROJECT-17053002
[Journal Article] New Electron States that Float on semiconductor and Metal Surface2005
- Author(s)
  S.Okada, Y.Enomoto, K Shiraishi, A.Oshiyama
- Journal Title
  
  Surface Science 585
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Free Energy Molecular Dynamics Simulations of Pulsed-Laser-Irradiated SiO_22005
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Appl. Phys. Lett 86
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] New Electron States that Float on semiconductor and Metal Surface2005
- Author(s)
  S.Okada, Y.Enomoto, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Surface Science 585
- Data Source
  KAKENHI-PROJECT-17053002
[Journal Article] Carbon three-dimensional architecture formed by intersectional collision of graphite patches2005
- Author(s)
  T.Kawai, S.Okada, Y.Miyamoto, A.Oshiyama
- Journal Title
  
  Physical Review B 72
  
  Pages: 35428-35428
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Carbon three-dimensional architecture formed by intersectional collision of graphite patches2005
- Author(s)
  T.Kawai, S.Okada, Y.Miyamoto, A.Oshiyama
- Journal Title
  
  Physical.Review.B 72
  
  Pages: 35428-35428
- Data Source
  KAKENHI-PROJECT-17053002
[Journal Article] Double-Metal-Ion/single-Metal-Ion Mechanisms of the Cleavage Reaction of Ribozymes2005
- Author(s)
  M.Boero, M.Tateno, K.Terakura, A.Oshiyama
- Journal Title
  
  J.Chem.Theory and Computation 1
  
  Pages: 925-925
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Double-Metal-Ion/Single-Metal-Ion Mechanisms of the Cleavage Reaction of Ribozymes2005
- Author(s)
  M.Boero, M.Tateno, K.Terakura, A.Oshiyama
- Journal Title
  
  J. Chem. Theory and Computation 1
  
  Pages: 925-934
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Electronic Structure of Semiconducting Nanotubes Adsorbed on Metal Surfaces2005
- Author(s)
  S.Okada, A.Oshiyama
- Journal Title
  
  Physical Review Letters 95
  
  Pages: 206804-206804
- NAID
  120007131628
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Double-Metal-Ion/Single-Metal-Ion Mechanisms of the Cleavage Reaction of Ribozymes2005
- Author(s)
  M.Boero, M.Tateno, K.Terakura, A.Oshiyama
- Journal Title
  
  J.Chem.Theory and Computation 1
  
  Pages: 925-934
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Electronic Structure of Semiconducting Nanotubes Adsorbed on Metal Surfaces2005
- Author(s)
  S.Okada, A.Oshiyama
- Journal Title
  
  Phys.Rev.Lett. 95
- NAID
  120007131628
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] New Electron States that Float on semiconductor and Metal Surface2005
- Author(s)
  S.Okada, Y.Enomoto, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Surface Science 585
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] New electron states that float on semiconductor and metal surface2005
- Author(s)
  S. Okada, Y. Enomoto, K. Shiraishi and A. Oshiyama
- Journal Title
  
  Surf. Sci. 585
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Free Energy Molecular Dynamics Simulations of Pulsed-Laser-Irradiated SiO_22005
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Applied Physic Letters 86
  
  Pages: 201910-201910
- Data Source
  KAKENHI-PROJECT-17053002
[Journal Article] Double-Metal-Ion/Single-Metal-Ion Mechanisms of the Cleavage Reaction of Ribozymes : First-Principles Molecular Dynamics Simulations of a Fully Hydrated Model System2005
- Author(s)
  M.Boero, M.Tateno, K.Terakura, A.Oshiyama
- Journal Title
  
  Journal of Chemical Theory and Computation 1
  
  Pages: 925-925
- Data Source
  KAKENHI-PROJECT-17053002
[Journal Article] Free Energy Molecular Dynamics Simulations of Pulsed-Laser-Irradiated SiO_22005
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli, K.Murakami
- Journal Title
  
  Appied Physics Letters 86
  
  Pages: 201910-201910
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] New Electron States that Float on semiconductor and Metal Surface2005
- Author(s)
  S.Okada, Y.Enomoto, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Surface Science 585
- Data Source
  KAKENHI-PROJECT-17064002
[Journal Article] Electronic Structure of Semiconducting Nanotubes Adsorbed on Metal Surfaces2005
- Author(s)
  S.Okada, A.Oshiyama
- Journal Title
  
  Phys. Rev. Lett. 95
- NAID
  120007131628
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] New Electron States that Float on semiconductor and Metal Surface2005
- Author(s)
  S.Okada, Y.Enomoto, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Surf.Sci. 585
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] E'Centers in Silicon Dioxide : First Principles Molecular Dynamics Studies2004
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli
- Journal Title
  
  Mod.Phys.Lett. B18
  
  Pages: 707-707
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] E'Centers in Silicon Dioxide : First Principles Molecular Dynamics Studies2004
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrellip
- Journal Title
  
  Mod.Phys.Lett. B 18
  
  Pages: 707-707
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Electronic Structures of Stacked C60 Shuttlecocks2004
- Author(s)
  S.Okada, A.Oshiyama, R.Arita, H.Aoki
- Journal Title
  
  Chem.Phys.Lett. 399
  
  Pages: 157-169
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Density Functional Calculations and Eigenchannel Analyses for Electron Transport in Al and Si Atomic Wires2004
- Author(s)
  S.Okano, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Phys.Rev. B, 69
  
  Pages: 45401-45401
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Band Structures of Wurtzite InN and Ga{1-x}InxN by All-Electron GW Calculation2004
- Author(s)
  M.Usuda, N.Hamada, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Jpn.J.Appl.Phys. 43
- NAID
  210000057192
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Electronic Structure of Polyglycine and Active sites of Cytochrome c Oxidase2004
- Author(s)
  K.Kamiya, K.Shiraishi, A.Oshiyama
- Journal Title
  
  J.Phys.Soc.Jpn 73
  
  Pages: 3198-3208
- NAID
  110001979277
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Electronic Structures of Stacked C60 Shuttlecocks2004
- Author(s)
  S.Okada, R.Arita, Y.Matsuo, E.Nakamura, A.Oshiyama, H.Aoki
- Journal Title
  
  Chem. Phys. Lett. 399
  
  Pages: 157-169
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] A New Identification of C-Type Defects on Si(100) Surfaces2004
- Author(s)
  S.Okano, A.Oshiyama
- Journal Title
  
  Surface Science 554
  
  Pages: 272-279
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Band Structures of Wurtzite InN and Ga{1-x}InxN by All-Ele ctron GW Calculation2004
- Author(s)
  M.Usuda, N.Hamada, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Jpn. J. Appl. Phys. 43
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Electronic Structure of Polyglycine and Active sites of Cytochrome c Oxidase2004
- Author(s)
  K.Kamiya, K.Shiraishi, A.Oshiyama
- Journal Title
  
  J. Phys. Soc. Jpn 73
  
  Pages: 3198-3208
- NAID
  110001979277
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Density Functional Calculations and Eigenchannel Analyses for Electron Transport in Al and Si Atomic Wires2004
- Author(s)
  S.Okano, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Phys.Rev.B 69
  
  Pages: 45401-45401
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Electronic Structures of Stacked C60 Shuttlecocks2004
- Author(s)
  S.Okada, R.Arita, Y.Matsuo, ENakarnura, A.Oshiyama, H.Aoki
- Journal Title
  
  Chem.Phys.Lett. 399
  
  Pages: 157-169
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] E'Centers in Silicon Dioxide : First Principles Molecular Dynamics Studies2004
- Author(s)
  M.Boero, A.Oshiyama, P.L.Silvestrelli
- Journal Title
  
  Mod. Phys. Lett. B 18
  
  Pages: 707-707
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Density Functional Calculations and Eigenchannel Analyses for Electron Transport in Al and Si Atomic Wires2004
- Author(s)
  S.Okano, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Phys. Rev. B 69
  
  Pages: 45401-45401
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Journal Article] Band Structures of Wurtzite InN and Ga{1-x}InxN by All-Electron GW Calculation
- Author(s)
  M.Usuda, N.Hamada, K.Shiraishi, A.Oshiyama
- Journal Title
  
  Jpn.J.Appl.Phys. 43
- NAID
  210000057192
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-16310083
[Presentation] `Clarification of Microscopic Mechanisms of GaN Epitaxial Growth and Interface Formation by Density-Functional Calculations2022
- Author(s)
  Atsushi Oshiyama
- Organizer
  The 20th International Conference on Metalorganic Vapor Phase Epitaxy
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03873
[Presentation] Computics approach to development of the next-generation semiconductor science2022
- Author(s)
  Atsushi Oshiyama
- Organizer
  The 30th Anniversary Symposium of the Center for Computational Sciences at the University of Tsukuba
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03873
[Presentation] Structures, electron states and reactions on growing surfaces and at device interfaces of SiC and GaN2021
- Author(s)
  A. Oshiyama
- Organizer
  International Symposium on Wide Gap Semiconductor Growth, Process and Device Simulation 2021 (ISWGPDs2021)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03873
[Presentation] パワー半導体エピタキシャル成長機構解明とデバイス界面制御に向けたコンピュ―ティクス・アプローチ2021
- Author(s)
  押山淳
- Organizer
  計算物質科学人材育成コンソーシアム（PCoMS）シンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-18H03873
[Presentation] Computics Approach in Science of Power Electronics2021
- Author(s)
  Atsushi Oshiyama
- Organizer
  1st Int Conf on Computational Science and Data Analytics: COMDATA 2021
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03873
[Presentation] Computics Approach to Dislocation-Impurity Complexes and Interface Characteristics of GaN Devices2021
- Author(s)
  Atsushi Oshiyama
- Organizer
  The 31st Int Conf Defects in Semiconducotors
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03873
[Presentation] Computics Approach toward Clarification of Atomic Reactions during Epitaxial Growth of GaN2020
- Author(s)
  A. Oshiyama
- Organizer
  Int. Conf. Simulation of Semiconductor Processes and Devices (SISPAD)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03873
[Presentation] 機械学習による軌道フリー密度汎関数理論とその応用（口頭発表）2020
- Author(s)
  井本文裕、今田正俊、押山淳
- Organizer
  日本物理学会第75回年次大会（名古屋大学）
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] 第一原理計算によるSiC表面のステップモフォロジーの検討 (口頭発表）2020
- Author(s)
  制野かおり、押山淳
- Organizer
  第67回応用物理学会学術講演会 (上智大学）
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] 実空間密度汎関数法によるSiC表面ステップの構造と安定性の解明 (口頭発表）2020
- Author(s)
  制野かおり、押山淳
- Organizer
  日本物理学会第75回年次大会 (名古屋大学）
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] 大規模第一原理計算とデバイス・プロセスシミュレータ統合に向けて－パワー半導体を中心に－2020
- Author(s)
  押山淳
- Organizer
  電子情報通信学会
- Invited
- Data Source
  KAKENHI-PROJECT-18H03873
[Presentation] Theoretical approach to oxygen incorporation mechanism in vicinal m-GaN MOVPE2019
- Author(s)
  F. Shintaku, Y. Kangawa, J.　I. Iwata, A. Oshiyama, K. Shiraish, A. Tanaka, H. Amano
- Organizer
  International Conference on Solid State Devices and Materials
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] Computics Approach toward Clarification of Microscopic Mechanisms of Epitaxial Growth of Gallium Nitride2019
- Author(s)
  K. M. Bui, M. Boero, K. Shiraishi and A. Oshiyama
- Organizer
  International Conference on Materials and Systems for Sustainability 2019 (ICMaSS2019), (Nagoya, Japan)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] Large-scale density-functional calculations in real space and its application to bilayer graphene and semiconductor epitaxial growth2019
- Author(s)
  Atsushi Oshiyama
- Organizer
  American Physical Society March Meeting (Boston, USA)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03873
[Presentation] Microscopic Reason for the Leakage Current due to the Mg-Attached Dislocation in GaN2019
- Author(s)
  T. Nakano, K. Chokawa, Y. Harashima, M. Araidai, K. Shiraishi, A. Oshiyama, A. Kusaba, Y. Kangawa, A. Tanaka, Y. Honda, H. Amano
- Organizer
  International Conference on Solid State Devices and Materials
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] りん処理によるSiC/SiO2界面の炭素関連欠陥の低減機構2019
- Author(s)
  小林拓真、松下雄一郎、奥田貴史、木本恒暢、押山淳
- Organizer
  応用物理学会
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] Microscopic identification of surface steps of SiC by the density-functional calculations2019
- Author(s)
  K. Seino and A. Oshiyama
- Organizer
  International Conference on Silicon Carbide and Related Materials 2019 (Kyoto/Japan)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] Modeling of the Leakage Current in GaN mediated through the Dislocation-Impurity Complex2019
- Author(s)
  Y. Harashima1, T. Nakano, A. Oshiyama, K. Shiraishi
- Organizer
  International Conference on Solid State Devices and Materials
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] Reaction Pathway of Surface-Catalyzed Ammonia Decomposition and Nitrogen Incorporation in Epitaxial Growth of Gallium Nitride2019
- Author(s)
  K.M. Bui, M. Boero, K. Shiraishi and A. Oshiyama
- Organizer
  American Physical Society March Meeting (Boston, USA)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03873
[Presentation] Large-scale density-functional calculations in real space and its application to bilayer graphene and semiconductor epitaxial growth2019
- Author(s)
  Atsushi Oshiyama
- Organizer
  American Physical Society March Meeting
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] Gallium Diffusion and Ammonia Decomposition on Growing GaN Surface: First Principles Molecular Dynamics Simulations2019
- Author(s)
  K. M. Bui, M. Boero, K. Shiraishi, and A. Oshiyama
- Organizer
  International Conference on Solid State Devices and Materials
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] Quantum transport device simulation based on real-space density functional theory and non-equilibrium Green's function method2018
- Author(s)
  N. Mori, G. Mil'nikov, J. Iwata, and A. Oshiyama
- Organizer
  International Union of Materials Research Societies - International Conference on Electronic Materials
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] Computics approach to power semiconductors: Reactions in GaN epitaxial growth and carrier traps near SiC/SiO2 Interfaces2018
- Author(s)
  Atsushi Oshiyama
- Organizer
  37th Electronic Materials Symposium (Nagahama, Shiga Japan)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03873
[Presentation] Electronic Properties of Nanometer-Scale Surfaces and Interfaces through Computics Approach2018
- Author(s)
  押山淳
- Organizer
  日本真空表面学会学術講演会
- Invited
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] Electronic Properties of Nanometer-Scale Surfaces and Interfaces through Computics Approach2018
- Author(s)
  押山淳
- Organizer
  日本真空表面学会学術講演会（神戸）
- Invited
- Data Source
  KAKENHI-PROJECT-18H03873
[Presentation] Computics approach to power semiconductors: Reactions in GaN epitaxial growth and carrier traps near SiC/SiO2 Interfaces2018
- Author(s)
  Atsushi Oshiyama
- Organizer
  37th Electronic Materials Symposium
- Invited
- Data Source
  KAKENHI-PROJECT-18H03770
[Presentation] Interlayer interaction that is decisive in the ernegy gap of a few-layer phosphorene2016
- Author(s)
  Y. Sugihara, A. Oshiyama
- Organizer
  American Physical Society March Meeting
- Place of Presentation
  Baltimore Convention Center, USA
- Year and Date
  2016-03-16
- Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-22104001
[Presentation] Multi-step atomic interchange mechanism for atom manipulation on semiconductor surface2016
- Author(s)
  B. Enkhtaivan, A. Oshiyama
- Organizer
  American Physical Society March Meeting
- Place of Presentation
  Baltimore Convention Center, USA
- Year and Date
  2016-03-16
- Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-22104001
[Presentation] 4H-SiC(11-20)面酸化における初期O2吸着およびCO/CO2脱離反応経路の探索2016
- Author(s)
  李瀚、松下雄一郎、M. Boero、押山淳
- Organizer
  日本物理学会第17回年次大会
- Place of Presentation
  東北学院大学
- Year and Date
  2016-03-21
- Data Source
  KAKENHI-ORGANIZER-22104001
[Presentation] 密度汎関数理論によるSiC(0001)面上のグラフェン生成初期過程の微視的機構2016
- Author(s)
  井本文裕、岩田潤一、M. Boero、押山淳
- Organizer
  日本物理学会第17回年次大会
- Place of Presentation
  東北学院大学
- Year and Date
  2016-03-22
- Data Source
  KAKENHI-ORGANIZER-22104001
[Presentation] バンド・アンフォールディング法による捩れ二層グラフェンのフェルミ速度変調機構解明2016
- Author(s)
  西紘史、松下雄一郎、押山淳
- Organizer
  日本物理学会第17回年次大会
- Place of Presentation
  東北学院大学
- Year and Date
  2016-03-21
- Data Source
  KAKENHI-ORGANIZER-22104001
[Presentation] Electronic structures in SiC/SiO2 interface from first-principles calculation2016
- Author(s)
  Y. Matsushita, M. Boero, A.Oshiyama
- Organizer
  American Physical Society March Meeting
- Place of Presentation
  Baltimore Convention Center, USA
- Year and Date
  2016-03-15
- Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-22104001
[Presentation] Band unfolding によるランダム固溶熱電材料のバンド構造の考察2015
- Author(s)
  桂ゆかり，岩田潤一，押山淳
- Organizer
  第12回日本熱電学会学術講演会
- Place of Presentation
  九州大学
- Year and Date
  2015-09-07
- Data Source
  KAKENHI-ORGANIZER-22104001
[Presentation] Large-Scale Electronic-Structure Calculations in the Real-Space Scheme: Bilayer Graphene and Silicene2013
- Author(s)
  4. A. Oshiyama
- Organizer
  2013 JSAP-MRS Joint Symposia
- Place of Presentation
  Doshisha University, Kyoto, Japan
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Large-Scale Calculations in the Real-Space Scheme: Absence and Presence of Dirac Electrons in Silicene2013
- Author(s)
  3. Z.-X. Guo, J.-I. Iwata and A. Oshiyama
- Organizer
  22th Int. Materials Research Congress (IMRC)
- Place of Presentation
  MRS, Cancun, Mexico
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Materials Design through Computics: Large-Scale Density-Functional Calculations for Nanomaterials in the Real-Space Scheme2013
- Author(s)
  1. A. Oshiyama
- Organizer
  Int. Summer School on HPC Challenges in Computational Sciences
- Place of Presentation
  New York University, New York City, USA
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Large-Scale Density-Functional Calculations in the Real-Space Scheme: Graphene and Silicene2013
- Author(s)
  2. A. Oshiyama
- Organizer
  7th Conf. Asian Consortium on Computational Materials Science (ACCMS7)
- Place of Presentation
  Suranaree University of Technology, Nakhon Ratchasima, Thailand
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Real-Space Density-Functional Approach to Electronic Properties of Nanostructures2012
- Author(s)
  A. Oshiyama
- Organizer
  Conference on Computaional Physics
- Place of Presentation
  Nichii Gakkan, Hyogo
- Year and Date
  2012-10-14
- Invited
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Materials Design through Computics: Nanostructures of Silicon and Carbon2012
- Author(s)
  A. Oshiyama
- Organizer
  10th Int. Meeting on High Peformance Computing for Computational Science (VECPAR2012)
- Place of Presentation
  RIKEN Advanced Institute for Computational Science (AICS), Hyogo
- Year and Date
  2012-07-17
- Invited
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] コンピューティクスによる物質デザイン:RSDFTを中心に2012
- Author(s)
  押山淳
- Organizer
  次世代ナノ統合シミュレーションソフトウェアの研究開発プロジェクト第6回公開シンポジウム
- Place of Presentation
  神戸ポートアイランドセンター
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Materials Design through Computics : nanowires and Nanotubes2011
- Author(s)
  A.Oshiyama
- Organizer
  International Focus Workshop on Quantum Simulations and Design
- Place of Presentation
  Dresden, Germany
- Year and Date
  2011-09-27
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Current Status of Density-Functional-Theory-Based Calculations for Nano- and Bio-Materials2011
- Author(s)
  A.Oshiyama
- Organizer
  Int.Sympo."Nanoscience and Quantum Physics 2011"
- Place of Presentation
  Tokyo国際文化会館
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] 励起ナノプロセス入門-第一原理計算2011
- Author(s)
  押山淳
- Organizer
  第48回応用物理学会スクール
- Place of Presentation
  山形大学
- Year and Date
  2011-08-29
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] PACS-CSにおける物性物理学研究2011
- Author(s)
  押山淳
- Organizer
  第2回「学際計算科学による新たな知の発見・統合・創出」シンポジウム
- Place of Presentation
  筑波大学
- Year and Date
  2011-09-01
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] コンピューティクスによる物質デザイン:RSDFTを例として2011
- Author(s)
  押山淳
- Organizer
  東京大学物性研究所計算物質科学研究センター第1回シンポジウム
- Place of Presentation
  東京大学
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Real-space density-functional-theory scheme and its application to large systems2009
- Author(s)
  A. Oshiyama
- Organizer
  Supercomputing in Solid State Physics
- Place of Presentation
  Kashiwa, Chiba
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Cation vacancies in nitride semiconductors: Possibility of intrinsic ferromagnetism2009
- Author(s)
  A. Oshiyama
- Organizer
  JST-DFG Workshop on Nanoelectronics
- Place of Presentation
  Kyoto
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Cation Vacancies in Nitride Semiconductors : A Possibility of Intrinsic Ferromagnetism2009
- Author(s)
  押山淳
- Organizer
  JST-DFG Workshop on Nanoelectronics
- Place of Presentation
  京都
- Year and Date
  2009-01-21
- Data Source
  KAKENHI-PLANNED-18069001
[Presentation] ナノ構造体の面日さ・電子論による機能探索「ポストスケーリング時代をデバイス・物性物理から斬る-これが半導体デバイスの未来像だ2009
- Author(s)
  押山淳
- Organizer
  第56会応用物理学関係連合講演会シンポジウム
- Place of Presentation
  筑波大学
- Year and Date
  2009-03-30
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Cation Vacancies in Nitride Semiconductors : A Possibility of Intrinsic Ferromagnetism2009
- Author(s)
  A. Oshiyama
- Organizer
  JST-DFG Workshop on Nanoelectronics
- Place of Presentation
  Kyoto
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Real-Space Density-Functional-Theory Scheme and its Application to Large Systems2009
- Author(s)
  A. Oshiyama
- Organizer
  Supercomputing in Solid State Physics
- Place of Presentation
  Kashiwa, Chiba
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] 蛋白質の立体構造・電子状態・生物機能の間の相関関係の研究2009
- Author(s)
  神谷克政、重田育照、マウロボエロ、白石賢二、押山淳
- Organizer
  第64回日本物理学会年次大会
- Place of Presentation
  立教大学
- Year and Date
  2009-03-28
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] ナノ構造体の面白さ - 電子論による機能探索2009
- Author(s)
  押山淳
- Organizer
  第56会応用物理学関係連合講演会シンポジウム
- Place of Presentation
  筑波大学
- Year and Date
  2009-03-30
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Screening of Electrostatic Field by Dielectric Carbonanotube2008
- Author(s)
  K. Uchida and A. Oshiyama
- Organizer
  1st Int Conf of The Grand Challenge Next-Generation Integrated Na
- Place of Presentation
  Tokyo
- Year and Date
  2008-06-04
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] 京速計算機を用いた物性第一原理計算とRSDFT超並列計算コードの開発2008
- Author(s)
  岩田潤一, 押山淳
- Organizer
  ハイパフォーマンスコンピューティングと計算科学(HPCS2008)
- Place of Presentation
  東京工業大学大岡山キャンパス
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] 窒化物半導体における陽イオン空孔による磁性2008
- Author(s)
  合田義弘、押山淳
- Organizer
  日本物理学会
- Place of Presentation
  岩手大学
- Year and Date
  2008-09-21
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Formation and Stability of Dislocation Cores in Ge/Si(001) Heterostructures2008
- Author(s)
  Y. Fujimoto and A. Oshiyama
- Organizer
  1st Int Conf of The Grand Challenge Next-Generation Integrated Na
- Place of Presentation
  Tokyo
- Year and Date
  2008-06-04
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] 窒化物半導体における陽イオン空孔による磁性2008
- Author(s)
  合田義弘,押山淳
- Organizer
  日本物理学会2008年秋季大会
- Place of Presentation
  岩手大学
- Year and Date
  2008-09-21
- Data Source
  KAKENHI-PLANNED-18069001
[Presentation] Multi-Walled Carbonnanotube Capacitor2008
- Author(s)
  K. Uchida and A. Oshiyama
- Organizer
  International Conference on Quantum Simulations and Design
- Place of Presentation
  Tokyo
- Year and Date
  2008-06-02
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Large-scale density-functional caculations using realspace parallelcomputation technique2008
- Author(s)
  A. Oshiyama
- Organizer
  1st Int. Conf. of The Grand Challenge to Next-Generation Integrated Nano science
- Place of Presentation
  Tokyo
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Structural and electronic properties of new crystalline phase of Si and Ge2008
- Author(s)
  Y. ujimoto, T. Korestune, S. Saito, T. Miyake, and A. Oshiyama
- Organizer
  International Conference on Quantum Simulatiors and Design
- Place of Presentation
  Tokyo
- Year and Date
  2008-06-02
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] シリコンとゲルマニウムの四配位新物質2008
- Author(s)
  藤本義隆、是常隆、三宅隆、斎藤晋、押山淳
- Organizer
  日本物理学会
- Place of Presentation
  岩手大学
- Year and Date
  2008-09-23
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] A novel proton transfer through peptide group in protein2008
- Author(s)
  K. Kamiya, Y. Shigeta, A. Oshiyama
- Organizer
  Theory and Application in Computational Chemistry
- Place of Presentation
  Shanghai
- Year and Date
  2008-09-24
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] 第一原理計算によるSi/Ge膜中の転位の原子・電子構造2008
- Author(s)
  藤本義隆、岩田潤一、押山淳
- Organizer
  日本物理学会
- Place of Presentation
  岩手大学
- Year and Date
  2008-09-23
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] 数nmサイズSi量子ドットの大規模第一原理計算2008
- Author(s)
  岩田潤一、白石賢二、押山淳
- Organizer
  日本物理学会
- Place of Presentation
  岩手大学
- Year and Date
  2008-09-21
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Large-scale Density-Functional Calculations using Real-Space Parallel-Computation Technique2008
- Author(s)
  A. Oshiyama
- Organizer
  lst Int. Cont. of The Urand Challenge to Next-Ueneration Integrated
- Place of Presentation
  Tokyo
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] ナノキャパシタの電気容量における静電遮蔽の効果2008
- Author(s)
  勾田和之、押山淳
- Organizer
  日本物理学会
- Place of Presentation
  岩手大学
- Year and Date
  2008-09-23
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Magnetism due to cation vacancies in group III nitrides2008
- Author(s)
  Y. Gohda and A. Oshiyama
- Organizer
  International Conference on Quantum Simulations and Design
- Place of Presentation
  Tokyo
- Year and Date
  2008-06-02
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Density-Functional Approach to Nano-and Bio-Materials2007
- Author(s)
  A, Oshiyama
- Organizer
  ICYS(NIMS)-ICMR(UC Santa Barbara)Summer School on Nanomaterials
- Place of Presentation
  NIMS,Tsukuba
- Year and Date
  2007-07-27
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Carbon nanotube and its hybrid structures2007
- Author(s)
  A. Oshiyama
- Organizer
  2nd Int. Sympo. on Nano meter-Scale Quantum Physics (nanoPHYS07)
- Place of Presentation
  Tokyo
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Microscopic mechanisms of proton transfer in cytochrome c oxidase : Car-Parrinello metadynamics approach2007
- Author(s)
  A. Oshiyama
- Organizer
  Handai Nanoscience and Nanotechnology Int. Sympo.
- Place of Presentation
  Osaka
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Proton Transfer in Cytochrome c Oxidase using CPMD+Metadynamics2007
- Author(s)
  A, Oshiyama
- Organizer
  Roberto Car 60th Birthday Symposium
- Place of Presentation
  ICTP,Trieste,Italy
- Year and Date
  2007-06-21
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Carbon Nanotube and its Hybrid Structures2007
- Author(s)
  A. Oshiyama
- Organizer
  2nd Int. Symposium on Nanometer-Scale Quantum Physics (nanoPHYS07)
- Place of Presentation
  Tokyo
- Data Source
  KAKENHI-PROJECT-18063003
[Presentation] Density-functional approach to nano- and bio-Materials2007
- Author(s)
  A. Oshiyama
- Organizer
  ICYS(NIMS)-IC MR (UC Santa Barbara) Summer School on Nanomaterials
- Place of Presentation
  Tsukuba
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Proton transfer in cytochrome c oxidase using CPMD+metadynamics2007
- Author(s)
  A. Oshiyama
- Organizer
  R. Car 60th Birthday Symposium
- Place of Presentation
  Trieste
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Current Stage of the Density Functional Approach Toward Atom Dynamics upon electron Excitation2007
- Author(s)
  押山淳
- Organizer
  日本物理学会2007年春季大会シンポジウム
- Place of Presentation
  鹿児島大学
- Year and Date
  2007-03-20
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Prediction of atomic and electronic structures of hybrid materials with carbon nanotubes2006
- Author(s)
  A. Oshiyama
- Organizer
  Int Workshop on Computational Challenges and Tools for Nanotubes
- Place of Presentation
  Nagano
- Year and Date
  2006-06-18
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Atomic and Electronic Structures of Carbon nanotubes on Si and Metal Surfaces2006
- Author(s)
  A. Oshiyama
- Organizer
  9th Asian Workshop on First-Principles Electronic-Structure Calculations
- Place of Presentation
  Seoul, KOREA
- Data Source
  KAKENHI-PROJECT-18063003
[Presentation] Atomic and Electronic Structures of Carbon nanotubes on Si and Metal Surfaces2006
- Author(s)
  A. Oshiyama
- Organizer
  9th Asian Workshop on First-Principles Electronic-Structure Calculations
- Place of Presentation
  Seoul
- Year and Date
  2006-11-06
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] ナノ・バイオ物質での密度汎関数法計算 : 現象の微視的機構と予測2006
- Author(s)
  押山淳
- Organizer
  ナノ学会第4回大会
- Place of Presentation
  京都大学
- Year and Date
  2006-05-20
- Data Source
  KAKENHI-PROJECT-17064002
[Presentation] Static and Dynamical Density-Functional Calculations for Nano-Materials: Moiré-Induced Electron Localization in Graphene and Laser-Triggered Crystallization in SiO2
- Author(s)
  A. Oshiyama
- Organizer
  MANA International Symposium 2015
- Place of Presentation
  Tsukuba（Tukuba,Ibaraki,Japan）
- Year and Date
  2015-03-11 – 2015-03-13
- Invited
- Data Source
  KAKENHI-PLANNED-22104005
[Presentation] Large-Scale Real-Space Density-Functional Calculations: Moiré-Induced Electron Localization in Graphene and Floating States in SiC
- Author(s)
  A. Oshiyama
- Organizer
  32nd International Conference on the Physics of Semiconductors
- Place of Presentation
  Austin, Texas, USA
- Year and Date
  2014-08-10 – 2014-08-15
- Invited
- Data Source
  KAKENHI-ORGANIZER-22104001

1. OKADA Susumu (70302388)

# of Collaborated Projects: 7 results

# of Collaborated Products: 38 results
2. BOERO Mauro (40361315)

# of Collaborated Projects: 6 results

# of Collaborated Products: 29 results
3. SHIRAISHI Kenji (20334039)

# of Collaborated Projects: 6 results

# of Collaborated Products: 60 results
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Oshiyama Atsushi 押山 淳

OSHIYAMA Atsushi 押山 淳

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Clarification of interface formation and electronic properties of power semiconductors through quantum theoretical computicsPrincipal Investigator

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Materials Design thorough Computics: Complex Correlation and Non-Equilibrium DynamicsPrincipal Investigator

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Density-Functional Approach to Atomic and Electronic Structures and their Dynamics in Nano-StructuresPrincipal Investigator

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Materials Design through Computics: Complex Correlation and Non-equilibrium DynamicsArea Organizer

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Quantum Design of Shapes and Functions in Nano- and Bio-MaterialsPrincipal Investigator

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Quantum Theory of Shapes and Properties in Nano-and Bio-Materials : Computational Physics ApproachPrincipal Investigator

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Oshiyama Atsushi 押山淳

OSHIYAMA Atsushi 押山淳

[Book] Ｃａｒ－Ｐａｒｒｉｎｅｌｌｏ　Ｍｏｌｅｃｕｌａｒ　Ｄｙｎａｍｉｃｓ　（Encyclopedia of Nanotechnology）2015

[Book] コンピューティクスによる物質デザイン：複合相関と非平衡ダイナミクス　平成２４年度報告書2013