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SAHARA Ryoji  佐原 亮二

ORCIDConnect your ORCID iD *help
Researcher Number 30323075
Affiliation (Current) 2025: 国立研究開発法人物質・材料研究機構, 構造材料研究センター, グループリーダー
Affiliation (based on the past Project Information) *help 2022 – 2024: 国立研究開発法人物質・材料研究機構, 構造材料研究センター, グループリーダー
2020 – 2023: 国立研究開発法人物質・材料研究機構, 構造材料研究拠点, グループリーダー
2015 – 2019: 国立研究開発法人物質・材料研究機構, 構造材料研究拠点, 主幹研究員
2017: 独立行政法人物質・材料研究機構, 研究員
2015: 国立研究開発法人物質・材料研究機構, その他部局等, その他 … More
2015: 物質・材料研究機構, 元素戦略材料センター, 主幹研究員
2014: 独立行政法人物質・材料研究機構, 構造材料ユニット, 主幹研究員
2014: 物質・材料研究機構, 元素戦略材料センター 構造材料ユニット 組織設計グループ, 主幹研究員
2013 – 2014: 独立行政法人物質・材料研究機構, その他部局等, その他
2013: 東北大学, 金属材料研究所, 准教授
2013: 独立行政法人物質・材料研究機構, 元素戦略材料センター, 主幹研究員
2013: 独立行政法人物質・材料研究機構, 元素戦略材料センター構造材料ユニット組織設計グループ
2012 – 2013: 独立行政法人物質・材料研究機構, 元素戦略材料センター 構造材料ユニット 組織設計グループ, 主幹研究員
2012: 独立行政法人物質・材料研究機構, その他部局等, 研究員
2012: 独立行政法人物質・材料研究機構, 元素戦略材料センター構造材料ユニット, 組織設計グループ主幹研究員
2011: 東北大学, 金属材料研究所, 助授
2007 – 2011: 東北大学, 金属材料研究所, 助教
2009: 東北大学, 金属材料研究所, 助授
2006: Tohoku University, Institute for Materials Research, Research Associate
2003 – 2006: Tohoku Univ., Institute for Materials Research, Res.Assistant, 金属材料研究所, 助手
2001 – 2002: 東北大学, 大学院・工学研究科, 助手 Less
Review Section/Research Field
Principal Investigator
Basic Section 26010:Metallic material properties-related / Materials engineering and related fields / Physical properties of metals/Metal-base materials / Inorganic materials/Physical properties / Physical properties of metals / Composite materials/Physical properties
Except Principal Investigator
Physical properties of metals/Metal-base materials / Nanomaterials/Nanobioscience / Nanostructural science / Environmental technology/Environmental materials … More / Basic Section 26040:Structural materials and functional materials-related / Medium-sized Section 18:Mechanics of materials, production engineering, design engineering, and related fields / Medium-sized Section 26:Materials engineering and related fields / Basic Section 26030:Composite materials and interfaces-related / Structural/Functional materials / Composite materials/Physical properties / Energy engineering / Structural/Functional materials Less
Keywords
Principal Investigator
第一原理計算 / 耐熱材料 / 繰り込み / 全電子GW計算 / ポテンシャル繰り込み / 表面酸化 / チタン合金 / モンテカルロ法 / 格子モデル / 計算状態図 … More / 酸化 / 電子励起ダイナミクス / 理論状態図 / 表面化学反応 / 機械学習モデル / プロセスインフォマティクス / 酸化速度定数 / 分子解離 / チタン表面酸化 / アナターゼ / 可視光応答型光触媒 / バンドギャップ / GW計算 / チタン / 化学反応 / 計算材料科学 / 第一原理フェーズフィールド法 / 組織自由エネルギー法 / 等温析出曲線図 / 熱力学的特性 / フェーズフィールドモデル / 微細組織制御 / ニッケル / 自由エネルギー計算 / 耐熱合金 / M23C6 / 界面モデル / 生成エネルギー / 微量添加ホウ素 / 合金元素 / マルチスケール / 界面強化機構 / 析出物強化 / マグネシウム合金 / 耐熱鋼 / 鉄鋼 / 炭化物 / マルチスケール解析 / クラスター変分法 / 構造材料 / 時間依存密度汎関数理論 / 電子励起状態 / ホウ化物 / 解離反応 / 密度汎関数理論 / 解離 / 全電子混合基底法 / 水素貯蔵材料 / 多ホウ化物 / ボロンリッチ化合物 / 弾性特性 / 状態図計算 / フラクタル / 臨界指数 / 弱い普遍性 / 普遍性 / マルテンサイト変態 / ポテンシャルの繰り込み / 格子振動エネルギー / パーコレーション … More
Except Principal Investigator
第一原理計算 / 材料設計 / 酸化チタン / チタン / 生体材料 / シミュレーション研究 / スーパーコンピューター / 全電子混合基底法 / 数値シミュレーション / 吸着エネルギー / 水素ハイドレート / 分子動力学 / 格子力学 / 自己保存効果 / 熱力学的性質 / 動力学的安定性 / ガスハイドレート / コーティング / バンドギャップ / TiO2 / 近赤外光 / 光触媒活性 / 損傷力学 / 破壊力学 / マルチスケールモデル / クリープ / コロナウイルス / 抗菌 / 光触媒 / スパイクタンパク質 / 抗ウイルス / アナターゼ / 酸化 / 表面処理 / 骨形成能 / 光機能 / 抗菌性 / 構造揺らぎの梯子登りモデル / オメガ相転移のkinetics / ヘテロ構造揺らぎ理論確立 / 不均質相転移の自由エネルギー / Landau自由エネルギーのq-点群表現 / ω相転移の第1原理計算 / 統計熱力学 / 準安定相転移梯子登り理論 / ヘテロ構造揺らぎのkineics / ヘテロ構造揺らぎ理論 / Landau自由エネルギー / ω相転移 / 相転移kinetics / 中性子セントラルピーク / 臨界現象 / pre-ω相転移 / 揺らぎ / 熱統計力学 / 相転移 / ZrNb合金核燃料被覆材 / 誘電体相転移 / ZrNb合金ω相転移 / 相転移kineticsの梯子登り理論 / ヘテロ構造揺らぎ / 中性子回折セントラルピーク / Landau展開係数の秩序規則 / 相転移の熱統計力学 / silicon polymer / hybrid model / first principles calculations / rarefied gas / direct simulation Monte Carlo / cluster growth / n-electron materials / silicon particle / 機能性薄膜 / 金属内包シリコンクリスター / 階層化モデル / ケイ素重合体 / ハイブリッドモデル / 希薄流 / モンテカルロ直接法 / クラスター成長 / π電子材料 / シリコン系ナノ粒子 / functional materials / material design / first principle calculations / nano structure / nanotechnology / nanocluster / silicon nanotube / metal encapsulated silicon fullerene / 機能性材料 / ナノ構造体 / ナノテクノロジー / ナノクラスター / シリコンナノチューブ / 金属内包シリコンフラーレン / water vapor adsorption / recycling / alkali hydrothermal synthesis / blast furnace slag / iron and steel making slag / zeolite A / zeolite / heat storage materials / 水砕スラグ / 水酸化カルシウム / トバーモライト / 水熱合成 / 吸着剤 / 蓄熱システム / 水蒸気吸着熱 / 水蒸気吸着 / リサイクル / アルカリ水熱合成 / 高炉スラグ / 鉄鋼スラグ / A型ゼオライト / ゼオライト / 蓄熱材料 / functional electrical stimulation (FES) / composite material / ultra-high strength / physical vapor deposition / βtype titanium alloy / biocompatibility / thin sheet / fine diameter wire / 冷間加工性 / 細胞毒性 / PVD / ステンレス鋼 / PVDコーテイング / 生体用新β型チタン合金 / TiN被覆 / 生体内マイクロマシン / 機能的電気刺激 / 複合材料 / 超高強度 / 物理吸着法 / β型チタン合金 / 生体適合性 / 箔帯 / 極細線 / 全エネルギー / 自己無撞着GWΓ法 / 自己無撞着GW近似 / ハイブリッド並列 / GW近似 / プログラム公開 / プログラム開発 / 全電子混合規定法 / シミュレーション / 相図作成 / エネルギー貯蔵 / コンピューターシミュレーション / ガス貯蔵材料 / クラスレートハイドレート / キャリア密度 / ゼーベック係数 / 熱電材料 / 熱電変換素子 / 電気伝導 / 熱伝導 / 熱電変換の物性理論 / ワニエ関数 / 全電子混合基底法開発 / 熱 電変換の物性理論 / 熱伝導率算定 / 非調和格子振動算定 / スピルオーバー過程 / Al(111)表面 / ナノチューブ / MOF / 水素貯蔵材料 / 水素貯蔵重量比 / 金属酸化物構造体 / ファンデ ルワールス力 / 材料探索 / 有機金属構造体 / 時間依存DFT計算 / クラスレート水和物 / グラフェン / van der Waals力 / 単一公子素子 / グリーン関数法 / 分子ワイヤー / 量子コンダクタンス / 遺伝的アルゴリズム / 単一分子素子 / 分子狭窄系 / 分子架橋系 / 分子デバイス / 量子コダクタンス / 遺伝的アルゴズム / 非平衡グリーン関数法 / THF / ミクロ孔金属錯体物質 / 熱力的性質 / メタン / メタンハイドレート / 吸着工ネルギー / 金属機構造体 / 格子動力学 / プロパン / ヘルプガス / 動的安定性 / 金属有機構造体 / 核形成メカニズム / 熱力学的安定性 / 核形成機構 Less
  • Research Projects

    (23 results)
  • Research Products

    (143 results)
  • Co-Researchers

    (35 People)
  •  ノンパラメータ階層計算技術による耐熱材料設計Principal Investigator

    • Principal Investigator
      佐原 亮二
    • Project Period (FY)
      2024 – 2026
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 26010:Metallic material properties-related
    • Research Institution
      National Institute for Materials Science
  •  Development of antibacterial-expressing self-maintenance implant surfaces using biological window

    • Principal Investigator
      上田 恭介
    • Project Period (FY)
      2024 – 2027
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 26040:Structural materials and functional materials-related
    • Research Institution
      Tohoku University
  •  Materials surface design to inactivate coronaviruses by focusing on spike proteins

    • Principal Investigator
      成島 尚之
    • Project Period (FY)
      2021 – 2024
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Review Section
      Medium-sized Section 26:Materials engineering and related fields
    • Research Institution
      Tohoku University
  •  Theoretical investigation of surface chemical reaction in high temperature materialsPrincipal Investigator

    • Principal Investigator
      SAHARA RYOJI
    • Project Period (FY)
      2021 – 2023
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 26010:Metallic material properties-related
    • Research Institution
      National Institute for Materials Science
  •  Establishing a creep life prediction methodology for heat-resistant structures at high temperatures

    • Principal Investigator
      柴沼 一樹
    • Project Period (FY)
      2020 – 2024
    • Research Category
      Fund for the Promotion of Joint International Research (Fostering Joint International Research (B))
    • Review Section
      Medium-sized Section 18:Mechanics of materials, production engineering, design engineering, and related fields
    • Research Institution
      The University of Tokyo
  •  Creation of optically-functional titanium surface with compatibility of bone forming ability and antibacterial activity and its application to implants

    • Principal Investigator
      Narushima Takayuki
    • Project Period (FY)
      2018 – 2021
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 26030:Composite materials and interfaces-related
    • Research Institution
      Tohoku University
  •  Theoretical design of superalloys by a quantitative modelling based on first principles calculationsPrincipal Investigator

    • Principal Investigator
      SAHARA RYOJI
    • Project Period (FY)
      2017 – 2019
    • Research Category
      Grant-in-Aid for Challenging Research (Exploratory)
    • Research Field
      Materials engineering and related fields
    • Research Institution
      National Institute for Materials Science
  •  Multi scale simulation of structural materials based on first principles calculationsPrincipal Investigator

    • Principal Investigator
      SAHARA Ryoji
    • Project Period (FY)
      2015 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical properties of metals/Metal-base materials
    • Research Institution
      National Institute for Materials Science
  •  Study of the hetero-phase fluctuation in structural phase transition followed by the creation of novel concept of materials design and technologies

    • Principal Investigator
      Kubo Hiroshi
    • Project Period (FY)
      2015 – 2017
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Physical properties of metals/Metal-base materials
    • Research Institution
      Shizuoka Institute of Science and Technology
  •  Developement and Open source code of all-electron mixed basis package program

    • Principal Investigator
      Ohno Kaoru
    • Project Period (FY)
      2013 – 2015
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical properties of metals/Metal-base materials
    • Research Institution
      Yokohama National University
  •  Theoretical investigation and design of high density hydrogen storage materials using spill over processPrincipal Investigator

    • Principal Investigator
      RYOJI Sahara
    • Project Period (FY)
      2012 – 2014
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Inorganic materials/Physical properties
    • Research Institution
      National Institute for Materials Science
  •  Theoretical design of thermal condutive- and thermoelectric- devices by all electron mixed basis ab initio calculatio

    • Principal Investigator
      KAWAZOE Yoshiyuki
    • Project Period (FY)
      2012 – 2013
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Structural/Functional materials
    • Research Institution
      Tohoku University
  •  Gas Storage Materials by Ice at Ordinary Temperatures and Pressures

    • Principal Investigator
      MIZUSEKI Hiroshi
    • Project Period (FY)
      2012 – 2013
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Energy engineering
    • Research Institution
      Tohoku University
  •  Ultra high-performance and -reliablity design of metal-organic materials for high-density hydrogen storage

    • Principal Investigator
      KAWAZOE Yoehiyuki
    • Project Period (FY)
      2011 – 2014
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Environmental technology/Environmental materials
    • Research Institution
      Tohoku University
  •  Evaluation and Survey of Electron Transport through Organic Molecules for Molecular Devices

    • Principal Investigator
      MIZUSEKI Hiroshi
    • Project Period (FY)
      2009 – 2011
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Nanomaterials/Nanobioscience
    • Research Institution
      Tohoku University
  •  A first principles study of boron rich compounds with high mechanical properties in high temperaturePrincipal Investigator

    • Principal Investigator
      SAHARA Ryoji
    • Project Period (FY)
      2009 – 2010
    • Research Category
      Grant-in-Aid for Young Scientists (B)
    • Research Field
      Physical properties of metals
    • Research Institution
      Tohoku University
  •  Theoretical Design of Nanoporous Materials for Hydrogen Storage Materials

    • Principal Investigator
      KAWAZOE Yoshiyuki
    • Project Period (FY)
      2006 – 2008
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Nanostructural science
    • Research Institution
      Tohoku University
  •  新エネルギー資源としてのクラスレートハイドレートの相安定性検討

    • Principal Investigator
      BELOSLUDOV Rodion
    • Project Period (FY)
      2005 – 2006
    • Research Category
      Grant-in-Aid for Exploratory Research
    • Research Field
      Environmental technology/Environmental materials
    • Research Institution
      Tohoku University
  •  Cluster growth and deposition processes and novel properties by hybrid model

    • Principal Investigator
      TAKAHASHI Masae
    • Project Period (FY)
      2004 – 2006
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Nanomaterials/Nanobioscience
    • Research Institution
      Tohoku University
  •  Prediction of Stable structure and properties for new silicon nanowire

    • Principal Investigator
      MARCEL Sluiter
    • Project Period (FY)
      2003 – 2004
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Nanostructural science
    • Research Institution
      Tohoku University
  •  Development of the adsorbent for heat storage system using iron and steel making slag as source material

    • Principal Investigator
      OUCHI Chiaki, 渡辺 雅俊
    • Project Period (FY)
      2002 – 2003
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Structural/Functional materials
    • Research Institution
      TOHOKU UNIVERSITY
  •  パーコレーション過程を考慮した複合材料の機能性とその普遍性Principal Investigator

    • Principal Investigator
      佐原 亮二
    • Project Period (FY)
      2001 – 2002
    • Research Category
      Grant-in-Aid for Young Scientists (B)
    • Research Field
      Composite materials/Physical properties
    • Research Institution
      Tohoku University
  •  Development and application of ultra-high strength titanium alloy thin sheet and fine-diameter wire coated with TiN

    • Principal Investigator
      OUCHI Chiaki
    • Project Period (FY)
      2001 – 2002
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Composite materials/Physical properties
    • Research Institution
      TOHOKU UNIVERSITY

All 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 Other

All Journal Article Presentation Book

  • [Book] 計算ナノ科学 第一原理計算の基礎と高機能ナノ材料への適用2019

    • Author(s)
      大野かおる、中村振一郎、水関 博志、佐原 亮二
    • Total Pages
      272
    • Publisher
      近代科学社
    • ISBN
      9784764950306
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Book] 水素利用技術集成Vol. 42014

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Total Pages
      300
    • Publisher
      エヌ・ティー・エス
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Book] 水素利用技術集成2014

    • Author(s)
      佐原亮二、水関博志、Marcel H. F. Sluiter、大野かおる、川添良幸
    • Total Pages
      6
    • Publisher
      エヌティーエス出版
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Book] 水素利用技術集成Vol. 4(担当した章のタイトル: 全電子混合基底法プログラムを用いた水素貯蔵材料設計)2014

    • Author(s)
      佐原亮二、水関博志、Marcel H. F. Sluiter、大野かおる、川添良幸
    • Total Pages
      7
    • Publisher
      エヌ・ティー・エス出版
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Book] 水素利用技術集成Vol. 4(「全電子混合基底法プログラムを用いた水素貯蔵材料設計」の章)2014

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Total Pages
      300
    • Publisher
      エヌ・ティー・エス
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Journal Article] Phase equilibria of the Co-Cr-Mn ternary system at 700℃2023

    • Author(s)
      Han K.、Sahara R.、Abe T.、Oikawa K.、Ueshima N.、Ohnuma I.
    • Journal Title

      Journal of Alloys and Compounds

      Volume: 965 Pages: 171315-171315

    • DOI

      10.1016/j.jallcom.2023.171315

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-21H01607, KAKENHI-PROJECT-21H01676
  • [Journal Article] The structure, stability, thermochemistry, and bonding in SO3-(H2O)n (n=1-7) clusters: a computational analysis2023

    • Author(s)
      Suvitha Ambigapathy、Venkataramanan Natarajan Sathiyamoorthy、Sahara Ryoji
    • Journal Title

      Structural Chemistry

      Volume: 34 Issue: 1 Pages: 225-237

    • DOI

      10.1007/s11224-022-02085-w

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Journal Article] Unveiling the gemcitabine drug complexation with cucurbit[n]urils (n=6-8): a computational analysis2023

    • Author(s)
      Venkataramanan Natarajan Sathiyamoorthy、Suvitha Ambigapathy、Sahara Ryoji、Kawazoe Yoshiyuki
    • Journal Title

      Structural Chemistry

      Volume: 34 Issue: 5 Pages: 1869-1882

    • DOI

      10.1007/s11224-023-02133-z

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Journal Article] Microstructures in Iron-rich FeSi Alloys by First-principles Phase Field and Special Quasirandom Structure Methods2023

    • Author(s)
      Ohno Kaoru、Kuwahara Riichi、Sahara Ryoji、Pham Thi Nu、Bhattacharyya Swastibrata、Kawazoe Yoshiyuki、Fujisaki Keisuke
    • Journal Title

      ISIJ International

      Volume: 63 Issue: 3 Pages: 553-558

    • DOI

      10.2355/isijinternational.ISIJINT-2022-465

    • ISSN
      0915-1559, 1347-5460
    • Year and Date
      2023-03-15
    • Language
      English
    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-23K21094, KAKENHI-PROJECT-21H01607
  • [Journal Article] Order-disorder competition in equiatomic 3d-transition-metal quaternary alloys: phase stability and electronic structure2023

    • Author(s)
      Mizuseki Hiroshi、Sahara Ryoji、Hongo Kenta
    • Journal Title

      Science and Technology of Advanced Materials: Methods

      Volume: 3 Issue: 1 Pages: 2153632-2153632

    • DOI

      10.1080/27660400.2022.2153632

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Journal Article] Electronic structure analysis of light-element-doped anatase TiO2 using all-electron GW approach2023

    • Author(s)
      Ishikawa Takashi、Sahara Ryoji、Ohno Kaoru、Ueda Kyosuke、Narushima Takayuki
    • Journal Title

      Computational Materials Science

      Volume: 220 Pages: 112059-112059

    • DOI

      10.1016/j.commatsci.2023.112059

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21H04603, KAKENHI-PROJECT-20H02448, KAKENHI-PROJECT-23K21094, KAKENHI-PROJECT-21H01607
  • [Journal Article] Molecular insights into the complex formation between dodecamethylcucurbit[6]uril and phenylenediamine isomers2022

    • Author(s)
      Natarajan Sathiyamoorthy Venkataramanan、Suvitha Ambigapathy、Sahara Ryoji
    • Journal Title

      Journal of Inclusion Phenomena and Macrocyclic Chemistry

      Volume: 102 Issue: 7-8 Pages: 637-651

    • DOI

      10.1007/s10847-022-01144-3

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Journal Article] Electronegativity Difference as a Descriptor for the Oxidation-Inhibiting Effect of the Alloying Element during the Early Stages of Titanium Oxidation2022

    • Author(s)
      Kohli Kanika、Bhattacharya Somesh Kr.、Ueda Kyosuke、Narushima Takayuki、Sahara Ryoji、Ghosh Prasenjit
    • Journal Title

      Langmuir

      Volume: 38 Issue: 4 Pages: 1448-1457

    • DOI

      10.1021/acs.langmuir.1c02633

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H04603, KAKENHI-PROJECT-20H02448, KAKENHI-PROJECT-21H01607
  • [Journal Article] Effect of water molecule in the structure, stability, and electronic properties of sulfur trioxide clusters: a computational analysis2022

    • Author(s)
      Suvitha A.、Venkataramanan N. S.、Sahara R.
    • Journal Title

      Monatshefte fur Chemie - Chemical Monthly

      Volume: 153 Issue: 4 Pages: 347-357

    • DOI

      10.1007/s00706-022-02909-9

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Journal Article] Analysis of the Oxidation and Nitridation of Ti-17 (Ti-5Al-2Sn-2Zr-4Mo-4Cr) Alloys with Added Si under Atmospheric Heating2022

    • Author(s)
      Narushima Takayuki、Suzuki Satoshi、Ueda Kyosuke、Bhattacharya Somesh Kr.、Sahara Ryoji
    • Journal Title

      ISIJ International

      Volume: 62 Issue: 7 Pages: 1512-1521

    • DOI

      10.2355/isijinternational.ISIJINT-2022-053

    • ISSN
      0915-1559, 1347-5460
    • Year and Date
      2022-07-15
    • Language
      English
    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-20H02448, KAKENHI-PROJECT-21H01607
  • [Journal Article] All-proportional solid solution versus two-phase coexistence in the Ti?V alloy by first-principles phase field and SQS methods2022

    • Author(s)
      Ohno Kaoru、Kuwahara Riichi、Pham Thi Nu、Bhattacharyya Swastibrata、Sahara Ryoji
    • Journal Title

      Scientific Reports

      Volume: 12 Issue: 1 Pages: 10070-10070

    • DOI

      10.1038/s41598-022-13906-7

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-23K21094, KAKENHI-PROJECT-21H01607
  • [Journal Article] Analysis of the oxidation and nitridation of Ti-17 (Ti-5Al-2Sn-2Zr-4Mo-4Cr) alloys with added Si in atmospheric heating2022

    • Author(s)
      T. Narushima, S. Suzuki, K. Ueda, S.K. Bhattacharya, R. Sahara
    • Journal Title

      ISIJ Int.

      Volume: 62

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21H04603
  • [Journal Article] Formation energies of θ-Al2Cu phase and precursor Al-Cu compounds: Importance of on-site Coulomb repulsion2021

    • Author(s)
      Souissi M.、Fang C.M.、Sahara R.、Fan Z.
    • Journal Title

      Computational Materials Science

      Volume: 194 Pages: 110461-110461

    • DOI

      10.1016/j.commatsci.2021.110461

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Journal Article] Effect of the Pt concentration on microstructures of Ti-Pt alloys using the first-principles phase field method2021

    • Author(s)
      Pham Thi Nu、Ohno Kaoru、Sahara Ryoji、Kuwahara Riichi、Bhattacharyya Swastibrata
    • Journal Title

      Acta Materialia

      Volume: 215 Pages: 117050-117050

    • DOI

      10.1016/j.actamat.2021.117050

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-23K21094, KAKENHI-PROJECT-21H01607
  • [Journal Article] A computational study on the complexation of bisbenzimidazolyl derivatives with cucurbituril and cyclohexylcucurbituril2021

    • Author(s)
      Venkataramanan N. S.、Suvitha A.、Sahara R.、Kawazoe Y.
    • Journal Title

      Journal of Inclusion Phenomena and Macrocyclic Chemistry

      Volume: 2021 Issue: 3-4 Pages: 217-231

    • DOI

      10.1007/s10847-021-01078-2

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Journal Article] Intermolecular interactions in microhydrated ribonucleoside and deoxyribonucleoside: A computational study2021

    • Author(s)
      Natarajan Sathiyamoorthy Venkataramanan、Suvitha Ambigapathy、Sahara Ryoji、Kawazoe Yoshiyuki
    • Journal Title

      Computational and Theoretical Chemistry

      Volume: 1204 Pages: 113422-113422

    • DOI

      10.1016/j.comptc.2021.113422

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Journal Article] Study on Ni-Ti alloys around equiatomic composition by the first-principles phase field method2021

    • Author(s)
      Kaoru Ohno, Monami Tsuchiya, Riichi Kuwahara, Ryoji Sahara, Swastibrata Bhattacharyya, and Thi Nu Pham
    • Journal Title

      Comp. Mat. Sci.

      Volume: 191 Pages: 110284-110284

    • DOI

      10.1016/j.commatsci.2021.110284

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01939, KAKENHI-PROJECT-23K21094, KAKENHI-PROJECT-21H01607
  • [Journal Article] Enhanced Selectivity in Volatile Organic Compound Gas Sensors Based on ReS2-FETs under Light-Assisted and Gate-Bias Tunable Operation2021

    • Author(s)
      Zulkefli Amir、Mukherjee Bablu、Sahara Ryoji、Hayakawa Ryoma、Iwasaki Takuya、Wakayama Yutaka、Nakaharai Shu
    • Journal Title

      ACS Applied Materials & Interfaces

      Volume: 13 Issue: 36 Pages: 43030-43038

    • DOI

      10.1021/acsami.1c10054

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Journal Article] Si添加Ti-6Al-4V合金の高温酸化に関する実験的・計算材料学的研究2020

    • Author(s)
      成島尚之, 上田恭介, 佐原亮二, S.K. Bhattacharya
    • Journal Title

      チタン

      Volume: 68 Pages: 328-335

    • NAID

      40022392470

    • Data Source
      KAKENHI-PROJECT-18H01718
  • [Journal Article] Predicting the Parabolic Rate Constants of High-Temperature Oxidation of Ti Alloys Using Machine Learning2020

    • Author(s)
      Bhattacharya Somesh Kr.、Sahara Ryoji、Narushima Takayuki
    • Journal Title

      Oxidation of Metals

      Volume: 94 Issue: 3-4 Pages: 205-218

    • DOI

      10.1007/s11085-020-09986-3

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H01718
  • [Journal Article] Mechanisms of oxidation of pure and Si-segregated α-Ti surfaces2020

    • Author(s)
      S.Kr. Bhattacharya, R. Sahara, K. Ueda and T. Narushima
    • Journal Title

      Proceedings of the 14th World Conference on Titanium (Ti-2019)

      Volume: -

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H01718
  • [Journal Article] Mechanism of oxidation of pure and Si-segregated α-Ti surfaces2019

    • Author(s)
      S.K. Bhattacharya, R. Sahara, S. Suzuki, K. Ueda and T. Narushima
    • Journal Title

      Appl. Surf. Sci.

      Volume: 463 Pages: 686-692

    • DOI

      10.1016/j.apsusc.2018.08.253

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H01718
  • [Journal Article] Experimental and theoretical study of the effect of Si addition on oxidation behavior of Ti-6Al-4V alloys2019

    • Author(s)
      K. Maeda, S. Suzuki, K. Ueda, T. Kitashima, Somesh Kr. Bhattacharya, R. Sahara and T. Narushima
    • Journal Title

      J. Alloys Compd.

      Volume: 776 Pages: 519-528

    • DOI

      10.1016/j.jallcom.2018.10.291

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H01718
  • [Journal Article] Effect of mixed partial occupation of metal sites on the phase stability of γ-Cr23-xFexC6 (x = 0-3) carbides2018

    • Author(s)
      Maaouia Souissi, Marcel H. F. Sluiter, Tetsuya Matsunaga, Masaaki Tabuchi, Michael J.Mills, and Ryoji Sahara
    • Journal Title

      SCIENTIFIC REPORTS

      Volume: 8 Issue: 1 Pages: 7279-7279

    • DOI

      10.1038/s41598-018-25642-y

    • Peer Reviewed / Open Access / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Journal Article] First-principles study of the phase stability and elastic properties of Ti-X alloys (X = Mo, Nb, Al, Sn, Zr, Fe, Co, and O)2017

    • Author(s)
      Wenchong Zhou, Ryoji Sahara, Koichi Tsuchiya
    • Journal Title

      JOURNAL OF ALLOYS AND COMPOUNDS

      Volume: 727 Pages: 579-579

    • DOI

      10.1016/j.jallcom.2017.08.128

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Journal Article] First principles study of oxidation of Si-segregated α-Ti(0001) surfaces2017

    • Author(s)
      Somesh Kr. Bhattacharya, Ryoji Sahara, Tomonori Kitashima, Kyosuke Ueda, Takayuki Narushima
    • Journal Title

      JAPANESE JOURNAL OF APPLIED PHYSICS

      Volume: 56 Issue: 12 Pages: 125701-125701

    • DOI

      10.7567/jjap.56.125701

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Journal Article] Effect of processing strain rate and temperature on interfacial segregation of zinc in a magnesium alloy2017

    • Author(s)
      Dudekula Althaf Basha, Ryoji Sahara, Hidetoshi Somekawa, Alok Singh, Koichi Tsuchiya
    • Journal Title

      MATERIALS SCIENCE AND ENGINEERING A

      Volume: 703 Pages: 54-54

    • DOI

      10.1016/j.msea.2017.07.041

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Journal Article] チタンの計算材料科学2017

    • Author(s)
      上杉徳照、佐原亮二
    • Journal Title

      軽金属

      Volume: 67 Pages: 653-653

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Journal Article] Effect of Si on the oxidation reaction of α-Ti(0001) surface: ab initio molecular dynamics study2017

    • Author(s)
      Somesh Kr. Bhattacharya, Ryoji Sahara, Kyosuke Ueda, Takayuki Narushima
    • Journal Title

      SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

      Volume: 18 Issue: 1 Pages: 998-998

    • DOI

      10.1080/14686996.2017.1403273

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Journal Article] Theoretical Investigation of Stabilizing Mechanism by Boron in Body-Centered Cubic Iron Through (Fe,Cr)23(C,B)6 Precipitates2016

    • Author(s)
      Ryoji Sahara, Tetsuya Matsunaga, Hiromichi Hongo, and Masaaki Tabuchi
    • Journal Title

      METALLURGICAL AND MATERIALS TRANSACTIONS A

      Volume: 47A Issue: 5 Pages: 2487-2497

    • DOI

      10.1007/s11661-016-3397-7

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Journal Article] A First Principles Study of Phase Stability and Structural Properties in (Fe,Cr)23(C,B)6 Compounds2016

    • Author(s)
      Ryoji Sahara, Tetsuya Matsunaga, Hiromichi Hongo, and Masaaki Tabuchi
    • Journal Title

      Proceedings of The Ninth Pacific Rim International Conference on Advanced Materials and Processing (PRICM9)

      Volume: - Pages: 919-921

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Journal Article] Interfacial segregation induced by severe plastic deformation in a Mg-Zn-Y alloy2016

    • Author(s)
      Dudekula Althaf Basha, Ryoji Sahara, Hidetoshi Somekawa, Julian M. Rosalie, Alok Singh, and Koichi Tsuchiya
    • Journal Title

      Scripta Materialia

      Volume: 124 Pages: 169-173

    • DOI

      10.1016/j.scriptamat.2016.07.021

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Journal Article] Suppression of grain refinement inheat-affected zone of 9CrCoVNb steels2016

    • Author(s)
      Tetsuya Matsunaga, Ryoji Sahara, Hiromichi Hongo, and Masaaki Tabuchi
    • Journal Title

      MaterialsScience&EngineeringA

      Volume: 655 Pages: 168-174

    • DOI

      10.1016/j.msea.2015.12.095

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Journal Article] TOMBO: All-electron mixed-basis approach to condensed matter physics2015

    • Author(s)
      Shota Ono, Yoshifumi Noguchi, Ryoji Sahara, Yoshiyuki Kawazoe, and Kaoru Ohno
    • Journal Title

      Computer Physics Communications

      Volume: 189 Pages: 20-30

    • DOI

      10.1016/j.cpc.2014.11.012

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218, KAKENHI-PROJECT-26400383
  • [Journal Article] 全電子混合基底法プログラムTOMBOを活用した材料科学2014

    • Author(s)
      佐原亮二、小野頌太、大野かおる
    • Journal Title

      まてりあ(日本金属学会会報)

      Volume: 53 Pages: 400-404

    • NAID

      130004687160

    • Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Journal Article] 全電子混合基底法プログラムTOMBOを活用した材料科学2014

    • Author(s)
      佐原亮二、小野頌太、大野かおる
    • Journal Title

      まてりあ

      Volume: 53 Pages: 400-404

    • NAID

      130004687160

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Journal Article] Effect of nickel dimer on the dissociation dynamics of hydrogen molecule2013

    • Author(s)
      Ryoji Sahara, Hiroshi Mizuseki, Marcel H. F. Sluiter, Kaoru Ohno, and Yoshiyuki Kawazoe
    • Journal Title

      RSC Advances

      Volume: 3 Issue: 30 Pages: 12307-12312

    • DOI

      10.1039/c3ra40928g

    • Peer Reviewed
    • Data Source
      KAKENHI-PUBLICLY-25104713, KAKENHI-PROJECT-25289218
  • [Journal Article] Si-doping effect on bonding nature and elasticity of AlMB_14 with M=Li, Mg, and Na.2009

    • Author(s)
      R.Sahara, T.Shishido, A.Nomura, K.Kudou, S.Okada, Vijay Kumar, K.Nakajima, Y.Kawazoe.
    • Journal Title

      J.Phys:Conference Series Vol.176

      Pages: 12018-12018

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21760515
  • [Journal Article] Si-doping effect on bonding nature and elasticity of AlMB14 with M=Li, Mg, and Na2009

    • Author(s)
      Ryoji Sahara, et al.(8名の共著、第一著者)
    • Journal Title

      J.Phys.Conference Series 176

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21760515
  • [Presentation] First-principles Thermodynamic Database for the Al-Ni-Ti2023

    • Author(s)
      Arkapol Saengdeejing, Ryoji Sahara, Yoshiaki Toda
    • Organizer
      CALPHAD 2023
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Presentation] Theoretical investigation of oxidation mechanism in Ti and its alloys2023

    • Author(s)
      R. Sahara, S.Kr. Bhattacharya, K. Kohli, P. Ghosh, K. Ueda, T.Narushima
    • Organizer
      The 15th World Conference of Titanium (Ti-2023)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H04603
  • [Presentation] 計算材料科学によるチタン表面酸化に及ぼす合金元素の影響評価2023

    • Author(s)
      佐原亮二、K. Kohli、S. Kr. Bhattacharya、P. Ghosh、上田恭介、成島尚之
    • Organizer
      日本金属学会2023年春期(第172回)講演大会
    • Data Source
      KAKENHI-PROJECT-21H04603
  • [Presentation] Thermodynamic Database of the Al-Ni-Ti Ternary System from First-principles Calculations2023

    • Author(s)
      Arkapol Saengdeejing, Ryoji Sahara, Yoshiaki Toda
    • Organizer
      2023 Spring Meeting of JIM
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Presentation] 全電子GW 計算による軽元素添加TiO2の電子状態計算2023

    • Author(s)
      佐原亮二, 石川立, 大野かおる, 上田恭介, 成島尚之
    • Organizer
      ナノ学会第21回大会
    • Data Source
      KAKENHI-PROJECT-21H04603
  • [Presentation] Thermodynamic Database of the Al-Nb-Ni Ternary System from First-principles Calculations2023

    • Author(s)
      Arkapol Saengdeejing, Ryoji Sahara, Yoshiaki Toda
    • Organizer
      JIM Autumn Meeting 2023
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Presentation] 計算材料科学によるチタン表面酸化に及ぼす合金元素の影響評価2023

    • Author(s)
      佐原亮二, Kanika Kohli, Somesh Kr. Bhattacharya, Prasenjit Ghosh, 上田恭介, 成島尚之
    • Organizer
      日本金属学会2023年春期(第172回)講演大会
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Presentation] 全電子GW計算による軽元素添加ルチル型TiO2の電子状態計算2023

    • Author(s)
      佐原亮二, 石川立, 大野かおる, 上田恭介, 成島尚之
    • Organizer
      日本金属学会2023年秋期(第173回)講演大会
    • Data Source
      KAKENHI-PROJECT-21H04603
  • [Presentation] Theoretical investigation of oxidation mechanism in Ti and its alloys2023

    • Author(s)
      Ryoji Sahara, Somesh Kr. Bhattacharya, Kanika Kohli, Prasenjit Ghosh, Kyosuke Ueda, and Takayuki Narushima
    • Organizer
      World Titanium Conference 2023
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Presentation] 全電子GW計算による軽元素添加TiO2の電子状態計算2023

    • Author(s)
      佐原亮二, 石川立, 大野かおる, 上田恭介, 成島尚之
    • Organizer
      ナノ学会第21回大会
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Presentation] Probing chemical reaction dynamics through excited-state time-dependent GW simulations2022

    • Author(s)
      Aaditya Manjanath, Ryoji Sahara, Kaoru Ohno, and Yoshiyuki Kawazoe
    • Organizer
      13th Annual ISAJ Symposium Frontiers of Materials, Life & Earth Sciences and Beyond
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Presentation] 全電子混合基底法GW計算による軽元素添加TiO2の電子状態計算2022

    • Author(s)
      佐原亮二、石川立、大野かおる、上田恭介、成島尚之
    • Organizer
      日本金属学会2022年秋期(第171回)講演大会
    • Data Source
      KAKENHI-PROJECT-21H04603
  • [Presentation] 全電子混合基底法GW計算による軽元素添加TiO2の電子状態計算2022

    • Author(s)
      佐原亮二, 石川立, 大野かおる, 上田恭介, 成島尚之
    • Organizer
      日本金属学会2022年秋期(第171回)講演大会
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Presentation] Siを添加したTi-17(Ti-5Al-2Sn-2Zr-4Mo-4Cr)合金の大気中酸化・窒化挙動2022

    • Author(s)
      成島尚之, 上田恭介, 鈴木聡, 佐原亮二, Somesh Kr. Bhattacharya
    • Organizer
      日本鉄鋼協会第183回春期講演大会共同セッション「チタン・チタン合金」
    • Data Source
      KAKENHI-PROJECT-21H04603
  • [Presentation] Theoretical investigation of oxidation mechanism in Ti and its alloys2022

    • Author(s)
      Ryoji Sahara
    • Organizer
      The first JAIST-KIST Joint Seminar
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Presentation] Mechanisms of oxidation of pure and Si-segregated Ti surfaces2022

    • Author(s)
      Ryoji Sahara, Somesh Kr. Bhattacharya, Kyosuke Ueda, and Takayuki Narushima
    • Organizer
      2nd International Conference on Materials Genome (ICMG II), ACCMS Theme Meeting
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Presentation] Mechanisms of oxidation of pure and Si-segregated Ti surfaces2022

    • Author(s)
      R. Sahara, S. Kr. Bhattacharya, K. Ueda, T. Narushima
    • Organizer
      2nd International Conference on Materials Genome (ICMG-II)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H04603
  • [Presentation] Effect of Light Illumination towards Enhanced Selectivity of Volatile Organic Compound Gas Sensor using a Single-Device ReS2 FET2021

    • Author(s)
      BIN ZULKEFLI Mohd Amir, MUKHERJEE Bablu, SAHARA Ryoji, HAYAKAWA Ryoma, IWASAKI Takuya, WAKAYAMA Yutaka, NAKAHARAI Shu
    • Organizer
      2021 International Conference on Solid Devices and Materials (SSDM2021)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-21H01607
  • [Presentation] 耐熱材料設計の第一原理計算2020

    • Author(s)
      佐原亮二、S. Maaouia、S. K. Bhattacharya、M. H. F. Sluiter、松永哲也、田淵正明、上田恭介、成島尚之
    • Organizer
      ナノ学会第17回大会
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Theoretical and experimental study of oxidation in pure and Si-segregated α-Ti surfaces2020

    • Author(s)
      Ryoji Sahara, Somesh Kr. Bhattacharya, Satoshi Suzuki, Kyosuke Ueda, and Takayuki Narushima
    • Organizer
      The 10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Atomistic modeling of defects and precipitates in high-strength heat resistant steels2020

    • Author(s)
      M. Souissi, M. H. F. Sluiter, T. Matsunaga, M. Tabuchi, M. J. Mills, and R. Sahara
    • Organizer
      The 10th International Conference of the Asian Consortium on Computational Materials Science (ACCMS-10)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Theoretical investigation of the phase stability and elastic properties of Ti-X alloys2020

    • Author(s)
      Ryoji Sahara, Wenchong Zhou, and Koichi Tsuchiya
    • Organizer
      The 14th Conference on Titanium
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Mechanisms of oxidation of pure and Si-segregated α-Ti surfaces2020

    • Author(s)
      Somesh K. Bhattacharya, Ryoji Sahara, Kyosuke Ueda, and Takayuki Narushima
    • Organizer
      The 14th Conference on Titanium
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Mechanisms of oxidation of pure and Si-segregated α-Ti surfaces2019

    • Author(s)
      S.K. Bhattacharya, R. Sahara, K. Ueda and T. Narushima
    • Organizer
      The 14th World Conference on Titanium (Ti-2019)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01718
  • [Presentation] Thermodynamic properties in Ni based alloys using a first principles renormalized potential2019

    • Author(s)
      R. Sahara, T. Osada, S. Bhattacharyya, and Kaoru Ohno
    • Organizer
      TMS2019, 148th Annual Meeting & Exhibition
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Design of High Temperature Materials by First Principles Based Thermodynamic Calculations2018

    • Author(s)
      R. Sahara, S. K. Bhattacharya, K. Ueda, T. Narushima, T. Osada, S. Bhattacharyya, and K. Ohno
    • Organizer
      The 16th Discussion Meeting on Thermodynamics of Alloys(TOFA2018)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] "First Principles Molecular Dynamics Study for Oxidation on Ti Surface at Elevated Temperature2018

    • Author(s)
      Somesh Kr. Bhattacharya, Ryoji Sahara, Kyosuke Ueda, and Takayuki Narushima
    • Organizer
      TMS2018 147th Annual Meeting and Exhibition
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] Mechanisms of oxidation of pure and Si-segregated α-Ti surface2018

    • Author(s)
      R. Sahara, S. K. Bhattacharya, S. Suzuki, K. Ueda and T. Narushima
    • Organizer
      International Workshop on Evolution of Electronic Structure Theory & Experimental Realization (EESTER-2018)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01718
  • [Presentation] Design of High Temperature Materials by First Principles Based Thermodynamic Calculations2018

    • Author(s)
      R. Sahara, S. K. Bhattacharya, K. Ueda, T. Narushima, T. Osada, S. Bhattacharyya and K. Ohno
    • Organizer
      16th Discussion Meeting on Thermodynamics of Alloys (TOFA2018)
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01718
  • [Presentation] Mechanisms of Oxidation of Pure and Si-segregated α-Ti Surfaces2018

    • Author(s)
      S. K. Bhattacharya, R. Sahara, K. Ueda and T. Narushima
    • Organizer
      TMS2019 148th Annual Meeting & Exhibition
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18H01718
  • [Presentation] Absolute value estimation of thermodynamic properties in Ni-Al alloys using a first principles renormalized potential2018

    • Author(s)
      R. Sahara, T. Osada, S. Bhattacharyya, and K. Ohno
    • Organizer
      TMS2018 147th Annual Meeting and Exhibition
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] 第一原理繰り込みポテンシャルを用いたNiAl 二元系合金の状態図計算2017

    • Author(s)
      佐原亮二、長田俊郎、Swastibrata Bhattacharyya、 大野かおる
    • Organizer
      日本金属学会2017年春期大会
    • Place of Presentation
      東京・日本
    • Year and Date
      2017-03-15
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] First-principles study of stability of γCr231-xFexC6 precipitates: The effect of metal site occupancy2017

    • Author(s)
      M. Souissi, R. Sahara, M. H. F. Sluiter, T. Matsunaga, and M. Tabuchi
    • Organizer
      日本金属学会2017年春期大会
    • Place of Presentation
      東京・日本
    • Year and Date
      2017-03-15
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] Thermodynamic properties in Ni-Al system using a face-centered-cubic lattice model with a first-principles renormalized potential2017

    • Author(s)
      Ryoji Sahara, Toshio Osada, Swastibrata Bhattacharyya, and Kaoru Ohno
    • Organizer
      第3回CDMSI(ポスト「京」重点課題(7))シンポジウム
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Thermodynamic properties in NiAl system by a first-principles renormalized potential2017

    • Author(s)
      Ryoji Sahara, Toshio Osada, Swastibrata Bhattacharyya, and Kaoru Ohno
    • Organizer
      14th International Conference on Creep and Fracture of Engineering Materials and Structures (CREEP2017)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] 第一原理繰り込みポテンシャルを用いたNiAl二元系合金の状態図計算2017

    • Author(s)
      佐原亮二、長田俊郎、Swastibrata Bhattacharyya、大野かおる
    • Organizer
      日本金属学会秋期大会
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] First Principles Molecular Dynamics study for oxidation on Ti surface at elevated temperature2017

    • Author(s)
      Somesh Kr. Bhattacharya, Ryoji Sahara, Kyosuke Ueda, and Takayuki Narushima
    • Organizer
      The 9th Conference of Asian Consortium on Computational Materials Science
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] Effect of metal site occupancy in the stability of Cr23-xFexC6 (x=0-23) carbide phases2017

    • Author(s)
      Maaouia Souissi, Tetsuya Matsunaga, Ryoji Sahara, Marcel H. F. Sluiter, Masaaki Tabuchi, Michael J. Mills
    • Organizer
      The 9th Conference of Asian Consortium on Computational Materials Science
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] Effect of metal site occupancy in the stability of Cr23-xFexC6 (x=0-23) carbide phases2017

    • Author(s)
      Maaouia Souissi, Tetsuya Matsunaga, Ryoji Sahara, Marcel H. F. Sluiter, Masaaki Tabuchi, Michael J. Mills
    • Organizer
      JSPS合金状態図第172委員会 第33回委員会・研究会
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] 第一原理繰り込みポテンシャルを用いたNiAl系合金の熱力学的諸特性2017

    • Author(s)
      佐原亮二、長田俊郎、S. Bhattacharrya、大野かおる
    • Organizer
      ポスト「京」重点課題(7)サブ課題E「高信頼性構造材料」 H29年度第一回研究会
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Non-random metal site occupation effect on the formation stability of γ-Cr23-xFexC6 carbide phases2017

    • Author(s)
      M. Souissi, R. Sahara, M. H. F. Sluiter, T. Matsunaga, M. Tabuchi
    • Organizer
      14th International Conference on Creep and Fracture of Engineering Materials and Structures (CREEP2017)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] 第一原理繰り込みポテンシャルを用いたNiAl系合金の熱力学的諸特性2017

    • Author(s)
      佐原亮二、長田俊郎、Swastibrata Bhattacharyya、 大野かおる
    • Organizer
      ポスト「京」 重点課題7E「高信頼性構造材料」と 萌芽的課題 基礎科学の挑戦A「破壊とカタストロフィ」の第1回合同研究会
    • Place of Presentation
      大阪・日本
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] Thermodynamic properties in Ni-Al system using a face-centered-cubic lattice model with a first-principles renormalized potential2017

    • Author(s)
      R. Sahara, T. Osada, S. Bhattacharyya, and K. Ohno
    • Organizer
      The 12th Asian Consortium on Computational Materials Science-Virtual Organization
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] Molecular Dynamics study of the high temperature oxidation resistance of Ti surfaces2017

    • Author(s)
      Somesh Kr. Bhattacharya, Ryoji Sahara, Kyosuke Ueda, and Takayuki Narushima
    • Organizer
      日本金属学会秋期大会
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] 第一原理繰り込みポテンシャルを用いたNiAl系合金の状態図計算2017

    • Author(s)
      佐原亮二、長田俊郎、S. Bhattacharrya、大野かおる
    • Organizer
      日本金属学会秋期大会
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Molecular dynamics study for oxidation on Ti surface at elevated temperature2017

    • Author(s)
      Somesh Kr. Bhattacharya, Ryoji Sahara, Kyosuke Ueda, and Takayuki Narushima
    • Organizer
      The 12th Asian Consortium on Computational Materials Science-Virtual Organization
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] Theoretical investigation of the phase stability and elastic property in Ti-X alloys2017

    • Author(s)
      Ryoji Sahara, Wenchong Zhou, and Koichi Tsuchiya
    • Organizer
      The 9th Conference of Asian Consortium on Computational Materials Science
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] 第一原理繰り込みポテンシャルを用いたNiAl系合金の熱力学的諸特性評価2017

    • Author(s)
      佐原亮二、長田俊郎、S. Bhattacharrya、大野かおる
    • Organizer
      第2回CDMSI(ポスト「京」重点課題(7))研究会
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] Effect of metal site occupancy in the stability of Cr23-xFexC6 (x=0-23) carbide phases2017

    • Author(s)
      Maaouia Souissi, Tetsuya Matsunaga, Ryoji Sahara, Marcel H. F. Sluiter, Masaaki Tabuchi, Michael J. Mills
    • Organizer
      The 12th Asian Consortium on Computational Materials Science-Virtual Organization
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] Thermodynamic properties in Ni-Al system using a face-centered-cubic lattice model with a first-principles renormalized potential2017

    • Author(s)
      Ryoji Sahara, Toshio Osada, Swastibrata Bhattacharyya, and Kaoru Ohno
    • Organizer
      12th Asian Consortium on Computational Materials Science - Virtual Organization
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] First Principles Molecular Dynamics study for oxidation on Ti surface at elevated temperature2017

    • Author(s)
      Somesh Kr. Bhattacharya, Ryoji Sahara, Tomonori Kitashima, Kyosuke Ueda, and Takayuki Narushima
    • Organizer
      日本金属学会2017年春期大会
    • Place of Presentation
      東京・日本
    • Year and Date
      2017-03-15
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] Thermodynamic properties in NiAl system by a first-principles renormalized potential2017

    • Author(s)
      Ryoji Sahara, Toshio Osada, Swastibrata Bhattacharyya, and Kaoru Ohno
    • Organizer
      14th International Conference on Creep and Fracture of Engineering Materials and Structures (Creep2017)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-17K18998
  • [Presentation] 繰り込みポテンシャルを用いたNiAl二元系合金の状態図計算2016

    • Author(s)
      佐原亮二、Swastibrata Bhattacharyya、長田俊郎、大野かおる
    • Organizer
      学振172状態図委員会 第24回委員会・研究会
    • Place of Presentation
      つくば・日本
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] First principles study of strategic materials by Indo-Japan collaboration2016

    • Author(s)
      Ryoji Sahara
    • Organizer
      Talk on Indo-Japan Scientific Collaboration and Strategic Materials
    • Place of Presentation
      チェンナイ・インド
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] First principles study of the phase stability and elastic properties in Ti-X alloys2016

    • Author(s)
      Ryoji Sahara,Wenchong Zhou, and Koichi Tsuchiya
    • Organizer
      チタンの準安定相・析出相研究部会:平成28 年度第2 回研究会
    • Place of Presentation
      東京・日本
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] Thermodynamic properties of Ni-Al alloys using a first principles renormalized potential2016

    • Author(s)
      Ryoji Sahara, Toshio Osada, and Kaoru Ohno
    • Organizer
      9th Pacific Rim International Conference on Advanced Materials and Processing (PRICM9)
    • Place of Presentation
      京都・日本
    • Year and Date
      2016-08-01
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] First-principles study of stability of gamma-Cr23-xFexC6 precipitates: The effect of metal site occupancy2016

    • Author(s)
      M. Souissi, R. Sahara, M. H. F. Sluiter, T. Matsunaga, and M. Tabuchi
    • Organizer
      The 11th ACCMS-VO General Meeting (Asian Consortium on Computational Materials Science - Virtual Organization)
    • Place of Presentation
      仙台・日本
    • Year and Date
      2016-12-19
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] First principles study of electronic structures and stability in structural materials2016

    • Author(s)
      Ryoji Sahara
    • Organizer
      Asian Consortium on Computational Materials Science - Theme Meeting on First Principles and Experiment: Role in Energy Research
    • Place of Presentation
      チェンナイ・インド
    • Year and Date
      2016-09-22
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] 粗視化手法への連結法の確立:繰り込みポテンシャルを用いたNiAl二元系合金の状態図計算2016

    • Author(s)
      佐原亮二、Swastibrata Bhattacharyya、 長田俊郎、大野かおる
    • Organizer
      第1回ポスト「京」重点課題(7)研究会
    • Place of Presentation
      東京・日本
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] First principles study of electronic structures and stability in structural materials2016

    • Author(s)
      Ryoji Sahara
    • Organizer
      The 11th ACCMS-VO General Meeting (Asian Consortium on Computational Materials Science - Virtual Organization)
    • Place of Presentation
      仙台・日本
    • Year and Date
      2016-12-19
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] Role of impurity in oxidation resistance of Ti: Ab initio DFT study2016

    • Author(s)
      Somesh Kr. Bhattacharya, Ryoji Sahara, Tomonori Kitashima, Ayako Ikeda, Kyosuke Ueda, and Takayuki Narushima
    • Organizer
      The 11th ACCMS-VO General Meeting (Asian Consortium on Computational Materials Science - Virtual Organization)
    • Place of Presentation
      仙台・日本
    • Year and Date
      2016-12-19
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15H04117
  • [Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料開発2015

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter, 大野かおる、川添良幸
    • Organizer
      ナノ学会第12回大会
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-05-11
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] The first-principles mapping onto the phase field crystal model2015

    • Author(s)
      Swastibrata Bhattacharyya, Kaoru Ohno, and Ryoji Sahara
    • Organizer
      ACCMS-VO10
    • Place of Presentation
      東北大学さくらホール
    • Year and Date
      2015-11-01
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Derivation of phase field crystal model from the first-principles2015

    • Author(s)
      Swastibrata Bhattacharyya, Kaoru Ohno, and Ryoji Sahara
    • Organizer
      第25回日本MRS年次大会
    • Place of Presentation
      横浜市開港記念会館他
    • Year and Date
      2015-12-08
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] Molecular dynamics simulation using time-dependent density functional theory2015

    • Author(s)
      Pham Thi Nu, ryoji Sahara, Hirosji Mizuseki, Shota. Ono, and Kaoru Ohno
    • Organizer
      第25回日本MRS年次大会
    • Place of Presentation
      横浜市開港記念会館他
    • Year and Date
      2015-12-08
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] The almighty first-principles program, TOMBO2013

    • Author(s)
      K. Ohno, R. Kuwahara, S. Ono, Y. Noguchi, R. Sahara, H. Mizuseki, and Y. Kawazoe
    • Organizer
      The 7th Conference of the Asian Consortium on Computational materials Science (ACCMS7)
    • Place of Presentation
      Nakhon Ratchasima, Thailand
    • Invited
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] “Development of the All-electron Mixed Basis Program, TOMBO”2013

    • Author(s)
      Kaoru Ohno, Riichi Kuwahara, Shota Ono, Hitoshi Adachi, Yoshifumi Noguchi, Marcel H. F. Sluiter, Ryoji Sahara and Yoshiyuki Kawazoe,
    • Organizer
      The Eighth General Meeting of Asian Consortium on Computational Materials Science - Virtual Organization (8thACCMS-VO)
    • Place of Presentation
      Tohoku University,Sendai,Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23241027
  • [Presentation] “TOMBO, an All-electron Mixed Basis Program”2013

    • Author(s)
      Kaoru Ohno, Riichi Kuwahara, Shota Ono, Hitoshi Adachi, Yoshifumi Noguchi, Marcel H. F. Sluiter, Ryoji Sahara and Yoshiyuki Kawazoe
    • Organizer
      International Union of Materials Research Society International Conference in Asia 2013 IUMRS-ICA
    • Place of Presentation
      Tohoku University,Sendai,Japan
    • Invited
    • Data Source
      KAKENHI-PROJECT-23241027
  • [Presentation] Introduction of TOMBO ~ Development of hydrogen storage materials ~2013

    • Author(s)
      R. Sahara, H. Mizuseki, M. Sluiter, K. Ohno, and Y. Kawazoe
    • Organizer
      Working Group Meeting of Asian Consortium on Computational Materials Science
    • Place of Presentation
      National Taiwan University of Science and Technology
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Presentation] 川添良幸第一原理計算による新規有機水素貯蔵材料の評価2013

    • Author(s)
      水関博志、N. S. Venkataramanan、佐原亮二
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学・百年記念館
    • Data Source
      KAKENHI-PROJECT-24656575
  • [Presentation] Development of the all-electron mixed basis program, TOMBO2013

    • Author(s)
      K. Ohno, R. Kuwahara, S. Ono, Y. Noguchi, R. Sahara, H. Mizuseki, and Y. Kawazoe
    • Organizer
      The 8th General Meeting of the Asian Consortium on Computational materials Science --- Virtual Organization (ACCMS-VO8)
    • Place of Presentation
      Sendai/Matsushima
    • Invited
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] 第一原理計算による新規有機水素貯蔵材料の評価2013

    • Author(s)
      水関博志、N. S. Venkataramanan、佐原亮二、川添良幸
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学・百年記念館
    • Data Source
      KAKENHI-PROJECT-24656575
  • [Presentation] TOMBO, an All-electron Mixed Basis Program IUMRS ICA 20132013

    • Author(s)
      Kaoru Ohno, Riichi Kuwahara, Shota Ono, Hitoshi Adachi, Yoshifumi Noguchi, Marcel H. F. Sluiter, Ryoji Sahara and Yoshiyuki Kawazoe
    • Organizer
      National Science Centre Complex
    • Place of Presentation
      Bangalore, India
    • Invited
    • Data Source
      KAKENHI-PROJECT-24656398
  • [Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料設計2013

    • Author(s)
      佐原亮二、土谷浩一、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学百年記念館
    • Data Source
      KAKENHI-PROJECT-25289218
  • [Presentation] TOMBO, an All-electron Mixed Basis Program2013

    • Author(s)
      Kaoru Ohno, Riichi Kuwahara, Shota Ono, Hitoshi Adachi, Yoshifumi Noguchi, Marcel H. F. Sluiter, Ryoji Sahara and Yoshiyuki Kawazoe
    • Organizer
      IUMRS ICA 2013
    • Place of Presentation
      Natioal Science Seminar Complex, Bangalore, India
    • Invited
    • Data Source
      KAKENHI-PROJECT-24656398
  • [Presentation] Effect of a nickel cluster on the dissociation process of hydrogen molecule2012

    • Author(s)
      R. Sahara, H. Mizuseki, M. Sluiter, K. Ohno, and Y. Kawazoe
    • Organizer
      International Symposium on Metal-Hydrogen Systems
    • Place of Presentation
      京都
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Presentation] Introduction of TOMBO2012

    • Author(s)
      R. Sahara, H. Mizuseki, M. Sluiter, K. Ohno, and Y. Kawazoe
    • Organizer
      Asian Consortium on Computational Materials Science-Virtual Organization
    • Place of Presentation
      東北大金研
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料開発2012

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Organizer
      平成24年度 計算材料科学研究拠点(CMRI) 第一回シンポジウム
    • Place of Presentation
      東北大金研
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Presentation] Development of all-electron mixed-basis ab initio program TOMBO and application for developing hydrogen storage materials2012

    • Author(s)
      R. Sahara, H. Mizuseki, M. Sluiter, K. Ohno, and Y. Kawazoe
    • Organizer
      244th ACS National Meeting & Exposition
    • Place of Presentation
      Philadelphia
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料の開発2012

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Organizer
      金属学会秋期大会
    • Place of Presentation
      愛媛大学
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Presentation] 全電子混合基底法プログラムTOMBOによる水素分子の解離におけるニッケルダイマーの効果2012

    • Author(s)
      佐原亮二、水関博志、Marcel Sluiter、大野かおる、川添良幸
    • Organizer
      日本金属学会2012年春期大会
    • Place of Presentation
      横浜国立大学
    • Year and Date
      2012-03-29
    • Data Source
      KAKENHI-PROJECT-23241027
  • [Presentation] 次世代スーパーコンピューティングシンポジウム20102011

    • Author(s)
      佐原亮二
    • Organizer
      全電子混合基底法プログラムの開発とその応用
    • Place of Presentation
      京都
    • Year and Date
      2011-01-19
    • Data Source
      KAKENHI-PROJECT-21760515
  • [Presentation] 新規水素貯蔵材料のシミュレーション探索研究2011

    • Author(s)
      水関博志、N.S.Venkataramanan、R.V.Belosludov、佐原亮二、陳剛、M.Khazaei、川添良幸
    • Organizer
      日本金属学会2011年秋期大会
    • Place of Presentation
      沖縄コンベンションセンター
    • Year and Date
      2011-11-08
    • Data Source
      KAKENHI-PROJECT-23241027
  • [Presentation] 第一原理計算によるアルカリ金属をドープした新規水素貯蔵材料の評価2011

    • Author(s)
      水関博志、N.S.Venkataramanan、陳剛、佐原亮二、川添良幸
    • Organizer
      ナノ学会第9回大会
    • Place of Presentation
      北海道大学学術交流会館
    • Year and Date
      2011-06-02
    • Data Source
      KAKENHI-PROJECT-23241027
  • [Presentation] First-Principles Calculations on Hydrogen Storage Capacity2011

    • Author(s)
      H.Mizuseki, N.S.Venkataramanan, R.Sahara, Y.Kawazoe
    • Organizer
      MRS Spring 2011
    • Place of Presentation
      West convention Center San Francisco, USA
    • Year and Date
      2011-04-28
    • Data Source
      KAKENHI-PROJECT-23241027
  • [Presentation] 次世代スーパーコンピューティングシンポジウム20102011

    • Author(s)
      佐原亮二
    • Organizer
      全電子混合基底法プログラムの開発とその応用
    • Place of Presentation
      神戸
    • Year and Date
      2011-01-17
    • Data Source
      KAKENHI-PROJECT-21760515
  • [Presentation] Theoretical Study of Hydrogen Storage Materials using All-electron Mixed-basis Program TOMBO2011

    • Author(s)
      R.Sahara, H.Mizuseki, M.H.E.Sluiter, K.Ohno, Y.Kawazoe
    • Organizer
      The 6th Asian Consortium on Computational Materials Science (ACCMS-6)
    • Place of Presentation
      National University of Singapore (NUS)シンガポール
    • Year and Date
      2011-09-09
    • Data Source
      KAKENHI-PROJECT-23241027
  • [Presentation] 全電子混合基底法プログラムの開発とその応用2011

    • Author(s)
      佐原亮二
    • Organizer
      次世代スーパーコンピューティングシンポジウム2010
    • Place of Presentation
      横浜
    • Year and Date
      2011-01-17
    • Data Source
      KAKENHI-PROJECT-21760515
  • [Presentation] 日本MRS2010

    • Author(s)
      佐原亮二
    • Organizer
      Development of hydrogen storage materials using all-electron mixed-basis program TOMBO
    • Place of Presentation
      横浜
    • Year and Date
      2010-12-20
    • Data Source
      KAKENHI-PROJECT-21760515
  • [Presentation] Development of hydrogen storage materials using all-electron mixed-basis program TOMBO2010

    • Author(s)
      佐原亮二
    • Organizer
      日本MRS
    • Place of Presentation
      横浜
    • Year and Date
      2010-12-20
    • Data Source
      KAKENHI-PROJECT-21760515
  • [Presentation] A First Principles Study of Electronic and Elastic Properties in Boron Rich Compounds2010

    • Author(s)
      佐原亮二
    • Organizer
      The 4^<th> General Meeting of ACCMS-VO(Asian Consortium on Computational Materials Science-Virtual Organization)
    • Place of Presentation
      宮城県仙台市
    • Year and Date
      2010-01-12
    • Data Source
      KAKENHI-PROJECT-21760515
  • [Presentation] 第一原理計算による多ホウ化物の弾性特性2009

    • Author(s)
      佐原亮二
    • Organizer
      第4回フラックス成長研究会
    • Place of Presentation
      愛知県常滑市
    • Year and Date
      2009-12-11
    • Data Source
      KAKENHI-PROJECT-21760515
  • [Presentation] 第4回フラックス成長研究会2009

    • Author(s)
      佐原亮二
    • Organizer
      第一原理計算による多ホウ化物の弾性特性解析
    • Place of Presentation
      愛知
    • Year and Date
      2009-12-11
    • Data Source
      KAKENHI-PROJECT-21760515
  • [Presentation] スピルオーバーを利用した水素貯蔵材料の高密度化

    • Author(s)
      佐原亮二
    • Organizer
      平成25年度「京」を中核とするHPCIシステム利用研究課題中間報告会
    • Place of Presentation
      東京
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料設計

    • Author(s)
      佐原亮二、水関博志、Marcel H. F. Sluiter、大野かおる、川添良幸
    • Organizer
      ナノ学会第11回大会
    • Place of Presentation
      東京工業大学
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Presentation] 全電子混合基底法プログラムTOMBOによる水素貯蔵材料開発

    • Author(s)
      佐原亮二、水関博志、Marcel H. F. Sluiter、大野かおる、川添良幸
    • Organizer
      ナノ学会第13回大会
    • Place of Presentation
      東北大学
    • Year and Date
      2015-05-11 – 2015-05-13
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Presentation] Development of hydrogen storage materials using TOMBO

    • Author(s)
      R. Sahara, H. Mizuseki, Marcel H. F. Sluiter, K. Ohno, and Y. Kawazoe
    • Organizer
      The 7th conference of the Asian Consortium on Computational Materials Science
    • Place of Presentation
      タイ
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Presentation] Development of hydrogen storage materials using all electron mixed basis program TOMBO

    • Author(s)
      R. Sahara, H. Mizuseki, Marcel H. F. Sluiter, K. Ohno, and Y. Kawazoe
    • Organizer
      International Conference on Materials Engineering for Resources
    • Place of Presentation
      秋田
    • Invited
    • Data Source
      KAKENHI-PROJECT-24560813
  • [Presentation] Effect of a nickel dimer on the dissociation dynamics of a hydrogen molecule

    • Author(s)
      R. Sahara, H. Mizuseki, Marcel H. F. Sluiter, K. Ohno, and Y. Kawazoe
    • Organizer
      20th Anniversary of TOMBO and Russian Megagrant Opening International Conference
    • Place of Presentation
      東北大学
    • Invited
    • Data Source
      KAKENHI-PROJECT-24560813
  • 1.  MIZUSEKI Hiroshi (00271966)
    # of Collaborated Projects: 9 results
    # of Collaborated Products: 20 results
  • 2.  BELOSLUDOV Rodion (10396517)
    # of Collaborated Projects: 8 results
    # of Collaborated Products: 1 results
  • 3.  KAWAZOE Yoshiyuki (30091672)
    # of Collaborated Projects: 8 results
    # of Collaborated Products: 22 results
  • 4.  NARUSHIMA Takayuki (20198394)
    # of Collaborated Projects: 6 results
    # of Collaborated Products: 24 results
  • 5.  上田 恭介 (40507901)
    # of Collaborated Projects: 5 results
    # of Collaborated Products: 23 results
  • 6.  NISHIMATU Takeshi (70323095)
    # of Collaborated Projects: 4 results
    # of Collaborated Products: 0 results
  • 7.  Ohno Kaoru (40185343)
    # of Collaborated Projects: 3 results
    # of Collaborated Products: 24 results
  • 8.  OUCHI Chiaki (00312603)
    # of Collaborated Projects: 3 results
    # of Collaborated Products: 0 results
  • 9.  小笠原 康悦 (30323603)
    # of Collaborated Projects: 3 results
    # of Collaborated Products: 0 results
  • 10.  金高 弘恭 (50292222)
    # of Collaborated Projects: 3 results
    # of Collaborated Products: 0 results
  • 11.  TAKAHASHI Masae (80183854)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 0 results
  • 12.  WATANABE Masatoshi (10240524)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 0 results
  • 13.  MARCEL Sluiter (70292266)
    # of Collaborated Projects: 2 results
    # of Collaborated Products: 0 results
  • 14.  INERBAEV Talgat (90431600)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 15.  HONGOU Kenta (60405040)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 16.  WENG Hngming (30447172)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 17.  GORJIZADEH Narjes (90466574)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 18.  Noguchi Yoshifumi (60450293)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 2 results
  • 19.  Kubo Hiroshi (30029904)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 20.  Yoshida yutaka (40241129)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 21.  Nakayama masanobu (10401530)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 22.  Takesue naohisa (20292758)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 23.  余 京智 (10261512)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 24.  土谷 浩一 (50236907)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 5 results
  • 25.  長田 俊郎 (50596343)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 8 results
  • 26.  戸田 佳明 (60343878)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 27.  伊藤 甲雄 (90609497)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 28.  柴沼 一樹 (30611826)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 29.  横堀 壽光 (00124636)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 30.  尾関 郷 (10781528)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 31.  田淵 正明 (60354239)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 32.  松永 哲也 (30595905)
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 33.  OISHI Seiji
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 34.  Sluiter Marcel H. F.
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results
  • 35.  JAIN Amit
    # of Collaborated Projects: 1 results
    # of Collaborated Products: 0 results

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