Kubo Momoji 久保百司

… Alternative Names

KUBO Momoji 久保百司

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Researcher Number	90241538
Other IDs
External Links
Affiliation (Current)	2025: 東北大学, 金属材料研究所, 教授 2025: 東北大学, 未来科学技術共同研究センター, 教授
Affiliation (based on the past Project Information) *help	2014 – 2023: 東北大学, 金属材料研究所, 教授 2011: Tohoku University, 工学(系)研究科(研究院), 教授 2007 – 2010: Tohoku University, Graduate School of Engineering, Professor 2005 – 2006: 東北大学, 大学院工学研究科, 助教授 2001 – 2005: 東北大学, 大学院・工学研究科, 助教授 … More 2001 – 2003: 東北大学, 工学研究科, 助教授 2001: Tohoku University, Graduate school of Engineering, Research Associate, 大学院・工学系研究科, 助手 1997 – 2000: 東北大学, 大学院・工学研究科, 助手 1999: 東北大学, 工学系研究科, 助手 1993 – 1996: 東北大学, 工学部, 助手 Less
Review Section/Research Field	Principal Investigator 触媒・化学プロセス / Design engineering/Machine functional elements/Tribology / Applied materials science/Crystal engineering / Basic Section 18040:Machine elements and tribology-related / Catalyst/Resource chemical process / Functional materials/Devices / Science and Engineering Except Principal Investigator 触媒・化学プロセス / Science and Engineering / Production engineering/Processing studies … More / Medium-sized Section 18:Mechanics of materials, production engineering, design engineering, and related fields / Design engineering/Machine functional elements/Tribology / 設計工学・機械要素・トライボロジー / Science and Engineering / 化学工学一般 / 無機工業化学 / Materials/Mechanics of materials / 工業物理化学 Less
Keywords	Principal Investigator 超低摩擦 / 結晶成長 / 第一原理分子動力学法 / 量子分子動力学法 / 分子シミュレーション / コンピュータグラフィックス / 分子動力学法 / 反応力場 / 超低摩耗 / 分子動力学シミュレータ … More / トライボ化学反応 / 焼付き / なじみ / トライボロジー / 量子化学 / ダイヤモンドライクカーボン / 高耐摩耗性化 / 自動車用潤滑剤 / トライボ反応シミュレータ / μmレベル / 触媒寿命 / 細孔径分布 / 2次粒子構造 / 電子レベル / シミュレータ / マルチスケール / シンタリング / 2次電子放出能 / 高耐久性 / 破壊現象ダイナミクス / MgO保護膜 / プラズマ場 / 2次電子放出 / 構造破壊 / マルチフィジックス / プラズマディスプレイ / 表面化学反応 / 高速化 / ハイブリッド / 薄膜 / 電子移動 / 化学反応 / 原子制御 / 高速化第一原理分子動力学法 / 局在化軌道 / 非平衡分子動力学法 / 高速化量子分子動力学法 / 過剰電子 / 微量ドーパント / 触媒分子反応工学 / Pd膜 / キネティックモンテカルロ / 量子分子動力学 / 触媒化学 / 反応工学 / 触媒反応場 / 移動現象 / MOMODY / 理論設計 / 量子ドット / プログラム開発 / 化学反応ダイナミックス / 高速計算 / ナノ構造形成技術 / 結晶成長シミュレーション / 原子レベル制御 / エレクトロニクス材料 / 粗視化分子動力学法 / Si (OH)_4 / 表面改質 / 脱水重縮合 / ZSM-5 / 触媒 / 合成過程 / ジメチルナフタレン / カーボンナノチューブ / バーチャルリアリティ / 密度汎関数法 / 二酸化炭素 / 無機分離膜 / 二酸化炭素高温分離 / 空気分離 / 分子ふるい / ゼオライト … More Except Principal Investigator 分子動力学法 / 密度汎関数法 / 光触媒 / 高速化量子分子動力学法 / コンビナトリアル / プログラム開発 / コンビナトリアル計算化学 / 電子状態 / ゼオライト / コンピュータグラフィックス / Density Functional Method / Molecular Dynamics / 燃料電池 / 高信頼性 / メタノール合成触媒 / 原子レベル制御 / モンテカルロ法 / 分子動力学シミュレーション / 分子動力学 / TRIBOSIM / MOMODY / MgO / Computer Graphics / Electronic States / 担持金属触媒 / 超微粒子 / PJD / パウダージェットデポジション / 分子シミュレーション / プラズマプロセス / ケミカルメカニカルポリッシング / 最適化 / 材料創製プロセス / 統合計算化学手法 / 複合的触媒機能 / 量子化学 / 微細構造 / コンピュータグラフィクス / ポルフィリン / ポテンシャル / ニコチン / 表面吸着相 / 超臨界流体 / テープ研削 / 化学機械研磨 / 紫外線援用 / 量子分子動力学シミュレーション / ナノダイヤモンド / テープ研磨 / 窒化ガリウム / サブサーフェースダメージ / OHラジカル / 紫外線援用加工 / テープ研磨加工 / ナノバブル / CMP / GaN / GaN研磨 / Ti 切削加工 / Ti切削加工 / GaN研磨加工 / ハイブリッドテクスチャリング / マイクロテクスチャリング / 殺菌 / 研削加工 / 膜沸騰 / 冷却性能 / 表面酸化 / 切削加工 / 研磨加工 / ウルトラファインバブル / 摩擦面その場観察 / 潤滑油 / ナノ構造層 / 誘電率 / 摩擦面その場評価 / カーボン系硬質膜 / 計算材料科学 / 力学特性 / ハイエントロピー合金 / Dry air / Atmospheric condition / Graphite / Silicon nitride / Running-in / Nitrogen gas / Carbon nitride / Super-low friction / 酸素ガス / 乾燥空気 / 雰囲気 / グラファイト / 窒化ケイ素 / なじみ / 窒素ガス / 窒化炭素膜 / 超低摩擦 / Flow Dynamics / Nano particle / Powder Jet Deposition / 精密噴射 / 精密分級 / 精密分散 / 大規模分子動力学法 / 付着現象ダイナミクス / 厚膜 / 流動ダイナミクス / ナノパーティクル / accelerated quantum chemical molecular dynamics method / mechanical friction / chemical reactions / additives for oils / development of simulators / tribochemical reactions / hybrid quantum chemical molecular dynamics method / トライボロジーシミュレータ / SCF-Tight-Binding近似 / SCF-Tight-binding近似 / 機械的摩擦 / 化学反応 / 潤滑油添加剤 / シミュレータ開発 / トライボケミカル反応 / ハイブリッド量子分子動力学法 / Large-Scale Models / Fischer-Tropsch Catalyst / Fuel Cell / Methanol Synthesis Catalyst / Combinatorial / Additives / Supports / Accelerated Quantum Chemical Molecular Dynamics Method / Fischev-Tropsh合成触媒 / 反応ダイナミクス / Fischer-Tropsh合成触媒 / 希土類酸化物担体 / スクリーニング / 大規模モデル / Fischer-Tropsch触媒 / 助触媒 / 担体 / Grand canonical Monte Carlo method / Traction coefficient / Potential / Lubricant / Simulation software / Rapid and reliable calculation / Nanotribology / ナノトロライボロジー / 拡散性 / 滑滑剤 / Tight-Binding近似 / 量子分子動力学 / 潤滑済 / 高速 / グランドカノニカルモンテカルロ法 / トラクション係数 / 潤滑剤 / シミュレーションソフトウェア / 高速・高信頼性 / ナノトライボロジー / material design / gas separation / silica membrane / zeolite membrane / molecular simulation / inorganic membrane / 透過係数 / 透過理論 / 分離膜 / 材料設計 / ガス分離 / シリカ膜 / ゼオライト膜 / 無機膜 / Methanol Synthesis Catalysts / deNOx Catalysts / Hybrid Molecular Dynamics / Screening / Quantum Molecular Dynamics / First-Principle / Catalyst Design / Combinatorial Computational Chemistry / 粗祖化 / 遷移金属 / Fe触媒 / 耐硫黄性 / Fisher-Tropsh合成 / 粗視化第一原理分子動力学法 / ハイブリッド化 / 触媒設計 / 第一原理計算化学 / Fine Structures / Catalyst Surface / Ultrafine Particles / Precious Metals / Accelerated Quantum Chemical Molecular Dynamics / Supported Metal Catalysts / Hybrid量子分子動力学 / H_2 / Pd / 吸着 / 触媒反応ダイナミックス / Hybrid 量子分子動力学 / 金属超微粒子触媒 / 高速化第一原理分子動力学 / 触媒表面 / 貴金属 / 高速化第一原理分子動力学法 / Crystal Growth Simulation / αAlィイD22ィエD2OィイD23ィエD2 / Quantum dot / Structure Design / Oxide Superlattice / New Electronics Materials / SrTiO_3 / ドーピング / 紫外レーザー / ZnO / 3次元周期境界条件密度汎関数計算 / エレクトロニクス材料 / 結晶成長シミュレーション / α-Al_2O_3 / 量子ドット / 原子レベル設計 / 酸化物人工超格子 / 次世代エレクトロニクス材料 / High Resolution transmission electron microscopy / X-ray Diffraction / deactivation of Catalysts / Heat Resistance / Zeolite / 結晶成長機構 / X線回析 / 高分解能電子顕微鏡 / X線回折 / 触媒劣化 / 耐熱性 / Support-Metal Interaction / Ultrafine Metal Particles / Supported Metal / 金 / パラジウム / シンタリング / 担体-金属間相互作用 / 担体-金属相互作用 / 金属超微粒子 / 担持金属 / 平滑粒子法 / 分級 / 粉体表面改質 / 成膜 / 高速粒子衝突 / 酸化則の応力依存性 / 長寿命化 / 原子力エネルギー / 計算物理 / 表面・界面物性 / 機械材料・材料力学 / 酸化則の応力依存症 / 量子化学分子動力学 / 粒界 / 酸化特性評価 / 軽水炉発電プラント / 応力腐食割れ / 電子配置 / Fock演算子 / Hartree-Fock-Roothaan方程式 / 量子分子動力学法 / シミュレーション / ダイナミックス / 励起状態 / 精密化 / 酸化チタン / 励起状態ダイナミクス / 理論設計 / 高速スクリーニング / 化学反応ダイナミクス / キネティックモンテカルロ / プラズマエッチング / LiCoO_2 / エチレンカーボネート / リチウム2次電池 / 固液複雑現象 / 電極界面 / 大規模 / アルコール合成 / カーバメート合成 / 触媒反応工学 / 選択還元 / イソシアネート合成 / 水素化脱硫 / 環境調和型還元剤 / 亜硝酸性窒素分解 / ZrO_2 / WO_3 / 水蒸気改質 / NO選択還元 / グリーンケミストリー / ケミカル汚染 / スクリーニング手法 / 結晶成長過程ダイナミックス / 分解反応ダイナミックス / 解離吸着反応ダイナミックス / 高速化量子分子動力学計算 / 燃料電池用アノード触媒 / クリーン燃料合成用硫化物触媒 / ダイオキシン分解触媒 / 高速化量子分子動力学 / メカノケミカル反応 / ダイナミクス / 酸化物表面 / ダイヤモンド表面 / トライボケミストリー / 高速化第一原理分子設計手法 / Hybrid / 対被毒性 / メタノール合成 / NO_x還元反応 / 酸化 / 希ガス照射 / 表面加工 / 分子軌道法 / シリコン / 半導体 / 結晶成長 / ST / 拡張Huckel法 / Tight-Binding / 分子設計支援システム / 極限集積化知能デバイス / 分子設計 / ホタル石型構造 / 酸素イオン拡散 / CeO_2 / 歪人工超格子 / YSZ / 固体イオニクス / 酸素分子 / ミクロ細孔 / エピタキシャル成長 / 接続孔 / 量子化学計算 / バーチャルリアリティ / エントレーナ効果 / 二酸化炭素 / エントレーナー効果 Less

Development of a 100-Million-Atoms Tribochemical Reaction Simulator and Establishment of a Theoretical Basis for Realizing Ultra-low WearPrincipal Investigator
- Principal Investigator
  
  Kubo Momoji
- Project Period (FY)
  2021 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 18040:Machine elements and tribology-related
- Research Institution
  Tohoku University
Elucidation of Ultrafine Bubble Collapse Dynamics and Applications to Mechanical Manufacturing
- Principal Investigator
  
  Kuriyagawa Tsunemoto
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 18:Mechanics of materials, production engineering, design engineering, and related fields
- Research Institution
  Tohoku University
Modeling and simulation on mechanical properties of high entropy alloys
- Principal Investigator
  
  Ogata Shigenobu
- Project Period (FY)
  2018 – 2022
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Osaka University
Development of design proposal for ultla low friction by controlling of permittivity of nano transformed layer and adsorbed lubricants on carbonaceous hard coating
- Principal Investigator
  
  Umehara Noritsugu
- Project Period (FY)
  2018 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 18:Mechanics of materials, production engineering, design engineering, and related fields
- Research Institution
  Nagoya University
Investigation of CMP Mechanism of GaN Wafer and Development of High-Efficiency & High-Quality CMP Machine using Fixed Abrasive Tape
- Principal Investigator
  
  Kuriyagawa Tsunemoto
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Production engineering/Processing studies
- Research Institution
  Tohoku University
Establishment of Theoretical Basis on Running-in and Seizure Based on Quantum Chemistry for Super-low Friction Technology DevelopmentPrincipal Investigator
- Principal Investigator
  
  Kubo Momoji
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Design engineering/Machine functional elements/Tribology
- Research Institution
  Tohoku University
第一原理分子動力学法に基づくトライボ反応シミュレータの開発と自動車用潤滑剤の設計Principal Investigator
- Principal Investigator
  
  久保百司
- Project Period (FY)
  2010 – 2012
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Design engineering/Machine functional elements/Tribology
- Research Institution
  Tohoku University
Multi-Physics Simulation of Powder Jet Deposition and Optimum Design of the Powder
- Principal Investigator
  
  KURIYAGAWA Tsunemoto
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Production engineering/Processing studies
- Research Institution
  Tohoku University
電子レベルから2次粒子構造までのマルチスケール触媒シンタリングシミュレータの開発Principal Investigator
- Principal Investigator
  
  久保百司
- Project Period (FY)
  2008 – 2009
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Catalyst/Resource chemical process
- Research Institution
  Tohoku University
Development of Multi-Physics Quantum Chemical Molecular Dynamics Method for the Theoretical Design of Plasma DisplayPrincipal Investigator
- Principal Investigator
  
  KUBO Momoji
- Project Period (FY)
  2006 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Functional materials/Devices
- Research Institution
  Tohoku University
Development of high precision nano-particle jet deposition device and studies on deposition dynamics
- Principal Investigator
  
  KURIYAGAWA Tsunemoto
- Project Period (FY)
  2006 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Production engineering/Processing studies
- Research Institution
  Tohoku University
Analysis of super-low friction mechanisms of carbon nitride in nitrogen gas lubrication and development of low frictiioon tribo-system
- Principal Investigator
  
  ADACHI Koshi
- Project Period (FY)
  2006 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Design engineering/Machine functional elements/Tribology
- Research Institution
  Tohoku University
Research on Mechanics and Mechanisms of Stress Corrosion Cracking Based upon Mechano-Chemical Oxidation Kinetics
- Principal Investigator
  
  SHOJI Tetsuo
- Project Period (FY)
  2005 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research (S)
- Research Field
  
  Materials/Mechanics of materials
- Research Institution
  Tohoku University
Development of Tribochemical Reaction Simulator Based on Hybrid Quantum Chemical Molecular Dynamics Method
- Principal Investigator
  
  MIYAMOTO Akira
- Project Period (FY)
  2004 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research (S)
- Research Field
  
  Design engineering/Machine functional elements/Tribology
- Research Institution
  Tohoku University
統合化計算化学手法による高信頼性材料創製プロセスのコンビナトリアル的最適化
- Principal Investigator
  
  宮本明
- Project Period (FY)
  2002 – 2003
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Tohoku University
コンビナトリアル計算化学による光反応触媒の高速スクリーニングと理論設計
- Principal Investigator
  
  宮本明
- Project Period (FY)
  2002
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Tohoku University
励起状態ダイナミックスのシミュレーションを可能とする量子分子動分学法の開発と応用
- Principal Investigator
  
  宮本明
- Project Period (FY)
  2002
- Research Category
  
  Grant-in-Aid for Exploratory Research
- Research Field
  
  触媒・化学プロセス
- Research Institution
  Tohoku University
統合化計算化学手法による高信頼性材料創製プロセスのコンビナトリアル的最適化
- Principal Investigator
  
  宮本明
- Project Period (FY)
  2001
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Tohoku University
グリーン・プロセスのための触媒反応場設計
- Principal Investigator
  
  服部忠
- Project Period (FY)
  2001 – 2003
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Nagoya University
移動現象を伴う触媒反応場の分子シミュレーションPrincipal Investigator
- Principal Investigator
  
  久保百司
- Project Period (FY)
  2001 – 2003
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Tohoku University
局在化軌道を活用した高速化第一原理分子動力学法の開発と結晶成長の原子制御への応用Principal Investigator
- Principal Investigator
  
  久保百司
- Project Period (FY)
  2001 – 2002
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Applied materials science/Crystal engineering
- Research Institution
  Tohoku University
大規模量子化学計算システムによる電極界面の固液複雑現象への萌芽的アプローチ
- Principal Investigator
  
  宮本明
- Project Period (FY)
  2001
- Research Category
  
  Grant-in-Aid for Exploratory Research
- Research Field
  
  工業物理化学
- Research Institution
  Tohoku University
Development of Simulation Software for Rapid and Reliable Simulations of Nanotribology
- Principal Investigator
  
  MIYAMOTO Akira
- Project Period (FY)
  2001 – 2003
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  設計工学・機械要素・トライボロジー
- Research Institution
  Tohoku University
Combinatorial Screening of Supports and Additives by Means of Accelerated Quantum Chemical Molecular Dynamics Method
- Principal Investigator
  
  MIYAMOTO Akira
- Project Period (FY)
  2001 – 2002
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  触媒・化学プロセス
- Research Institution
  Tohoku University
コンビナトリアル計算化学による複合的触媒機能の原子レベル制御
- Principal Investigator
  
  宮本明
- Project Period (FY)
  2000 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Tohoku University
コンビナトリアル計算化学による複合的触媒機能の原子レベル制御
- Principal Investigator
  
  宮本明
- Project Period (FY)
  1999
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas (A)
- Review Section
  
  Science and Engineering
- Research Institution
  Tohoku University
粗視化分子動力学法の開発とエレクトロニクス材料の原子レベル制御への応用Principal Investigator
- Principal Investigator
  
  久保百司
- Project Period (FY)
  1999 – 2000
- Research Category
  
  Grant-in-Aid for Encouragement of Young Scientists (A)
- Research Field
  
  Applied materials science/Crystal engineering
- Research Institution
  Tohoku University
高速化第一原理分子設計手法の開発とトライボケミストリーへの応用
- Principal Investigator
  
  宮本明
- Project Period (FY)
  1999
- Research Category
  
  Grant-in-Aid for Exploratory Research
- Research Field
  
  設計工学・機械要素・トライボロジー
- Research Institution
  Tohoku University
Development of First-Principle Combinatorial Computational Chemistry Method and Its Application to Catalyst Design
- Principal Investigator
  
  MIYAMOTO Akira
- Project Period (FY)
  1999 – 2000
- Research Category
  
  Grant-in-Aid for Scientific Research (B).
- Research Field
  
  触媒・化学プロセス
- Research Institution
  Tohoku University
Study on Design Methodology for Inorganic Separation Membranes by Newly Developed Molecular Simulation Method
- Principal Investigator
  
  TAKABA Hiromitsu
- Project Period (FY)
  1999 – 2000
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  化学工学一般
- Research Institution
  The University of Tokyo
極限集積化知能デバイスのための分子設計支援システムの開発とその応用
- Principal Investigator
  
  宮本明
- Project Period (FY)
  1997
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
Structure Design and Development of Metal Oxide Superlattice as New Electronic Materials
- Principal Investigator
  
  MIYAMOTO Akira
- Project Period (FY)
  1997 – 1999
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  無機工業化学
- Research Institution
  TOHOKU UNIVERSITY
Development of accelerated first-principle molecular dynamics program and its applications to the ultrafine metal particle catalysts
- Principal Investigator
  
  MIYAMOTO Akira
- Project Period (FY)
  1997 – 1998
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  触媒・化学プロセス
- Research Institution
  Tohoku University
ミクロ細孔場における光触媒活性種の分子設計
- Principal Investigator
  
  宮本明
- Project Period (FY)
  1996
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
イオン高速輸送機能を持つ新規固体材料の分子設計
- Principal Investigator
  
  宮本明
- Project Period (FY)
  1996
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
極限集積化知能デバイスのための分子設計支援システムの開発とその応用
- Principal Investigator
  
  宮本明
- Project Period (FY)
  1996
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
触媒材料の合成過程に関する分子シミュレーションPrincipal Investigator
- Principal Investigator
  
  久保百司
- Project Period (FY)
  1996
- Research Category
  
  Grant-in-Aid for Encouragement of Young Scientists (A)
- Research Field
  
  触媒・化学プロセス
- Research Institution
  Tohoku University
ミクロ細孔場における光触媒活性種の分子設計
- Principal Investigator
  
  宮本明
- Project Period (FY)
  1995
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
極限集積化知能デバイスのための分子設計支援システムの開発とその応用
- Principal Investigator
  
  宮本明
- Project Period (FY)
  1995
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
表面吸着相における超臨界流体の微細構造とダイナミックスに関する基礎研究
- Principal Investigator
  
  宮本明
- Project Period (FY)
  1994
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
無機分離膜素材の分子設計Principal Investigator
- Principal Investigator
  
  久保百司
- Project Period (FY)
  1994
- Research Category
  
  Grant-in-Aid for Encouragement of Young Scientists (A)
- Research Field
  
  触媒・化学プロセス
- Research Institution
  Tohoku University
Fundamental Investigation for the Structure and Dynamics of the Ultrafine Metal Particles over the Solid Surface
- Principal Investigator
  
  MYYAMOTO Akira
- Project Period (FY)
  1994 – 1995
- Research Category
  
  Grant-in-Aid for General Scientific Research (B)
- Research Field
  
  触媒・化学プロセス
- Research Institution
  Tohoku University
Development and Design of New Heat-resistant Zeolite
- Principal Investigator
  
  MIYAMOTO Akira
- Project Period (FY)
  1994 – 1996
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  触媒・化学プロセス
- Research Institution
  Tohoku University
表面吸着相における超臨界流体の微細構造とダイナミックスに関する基礎研究
- Principal Investigator
  
  MIYAMOTO Akira
- Project Period (FY)
  1993
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Research Institution
  Tohoku University
ゼオライトの分子ふるい過程のダイナミックスに関する分子動力学的研究Principal Investigator
- Principal Investigator
  
  久保百司
- Project Period (FY)
  1993
- Research Category
  
  Grant-in-Aid for Encouragement of Young Scientists (A)
- Research Field
  
  触媒・化学プロセス
- Research Institution
  Tohoku University

[Book] 表面・界面技術ハンドブック2016
- Author(s)
  伊藤　寿、桑原卓哉、樋口祐次、尾澤伸樹、久保百司
- Total Pages
  858
- Publisher
  エヌ・ティー・エス
- Data Source
  KAKENHI-PROJECT-26249011
[Book] 製品開発のための材料力学と疲労設計入門2009
- Author(s)
  鯉渕興二, 小久保邦雄, 初田俊雄, 服部敏雄, 三浦英生
- Total Pages
  169
- Publisher
  日刊工業新聞社
- Data Source
  KAKENHI-PROJECT-17106002
[Book] 9章PDP用保護膜、蛍光体に関するシミュレーション、ラボレベル : 研究初期で必要となる発光素子・発光デバイス開発のための基礎技術・装置・測定、評価法2008
- Author(s)
  遠藤明, 芹澤和実, 大沼宏彰, 菊地宏美, 鈴木愛, 古山通久, 坪井秀行, 畠山望, 高羽洋充, Carlos A. Del Carpio, 久保百司, 梶山博司, 篠田傅, 宮本明
- Publisher
  情報機構
- Data Source
  KAKENHI-PROJECT-18350094
[Book] 量子論に基づくMgO保護膜の電子放出特性・二次電子放出係数の予測シミュレータの開発2008
- Author(s)
  遠藤明, 芹澤和実, 大沼宏彰, 坪井秀行, 古山通久, 高羽洋充, 久保百司, 梶山博司, 篠田傅, 宮本明
- Publisher
  月刊ディスプレイ
- Data Source
  KAKENHI-PROJECT-18350094
[Book] 触媒便覧2008
- Author(s)
  久保百司, ら
- Publisher
  講談社サイエンティフィク
- Data Source
  KAKENHI-PROJECT-20656131
[Book] 分子動力学法, 表面物性工学ハンドブック第2版、1,7,22007
- Author(s)
  久保百司, 古山通久, 宮本明
- Publisher
  丸善
- Data Source
  KAKENHI-PROJECT-17106002
[Book] 2.2節PDP材料に関するシミュレーション、プラズマディスプレイ材料技術の最前線2007
- Author(s)
  遠藤明, 大沼宏彰, 菊地宏美, 坪井秀行, 古山通久, 畠山望, 高羽洋充, 久保百司, Carlos Del Carpio, 梶山博司, 篠田傅, 宮本明
- Publisher
  シーエムシー出版
- Data Source
  KAKENHI-PROJECT-18350094
[Book] 計算化学が拓く新しい材料-多分野での応用例と展望, 未来材料2006
- Author(s)
  古山通久, 坪井秀行, 遠藤明, 久保百司, Carlos A. Del Carpio, 宮本明
- Data Source
  KAKENHI-PROJECT-17106002
[Book] 21世紀の化学の潮流を探る17 コンビナトリアルサイエンスが拓く創造の世界 III.1 コンビナトリアル計算化学のための新手法の開発2002
- Author(s)
  久保百司他
- Total Pages
  6
- Publisher
  日本化学会
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-13355007
[Book] Chemistry, in"Innovation Realized by Combinatorial Sciences, Exploring Streams of Chemistry in 21st Century, 17"(in Japanese)2002
- Author(s)
  M.Kubo et al.
- Total Pages
  6
- Publisher
  The Chemical Society of Japan
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-13355007
[Journal Article] Neural Network Molecular Dynamics Simulation on Friction-induced Chemical Reactions of Si3N4 in Water and Ethylene Glycol Environments2024
- Author(s)
  Ryutaro Kudo, Yusuke Ootani, Shogo Fukushima, Nobuki Ozawa, and Momoji Kubo
- Journal Title
  
  Chemistry Letters
  
  Volume: -
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21H01235
[Journal Article] Coarse-grained Molecular Dynamics Simulation of the Effect of Cross-Linking on the Wear Mechanism of Polymer Brush2024
- Author(s)
  Zhongmin Liu, Yusuke Ootani, Shuichi Uehara, Jing Zhang, Qian Chen, Yang Wang, Nobuki Ozawa, and Momoji Kubo
- Journal Title
  
  Chemistry Letters
  
  Volume: 53 Issue: 3
- DOI
  10.1093/chemle/upae035
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21H01235
[Journal Article] Reactive Molecular Dynamics Simulation Study on Atomic-Scale Adhesive Wear Mechanisms of Single Crystalline Body-Centered Cubic Iron2024
- Author(s)
  Yusuke Ootani, Masaki Tsuchiko, Masayuki Kawaura, Mizuho Yokoi, Qian Chen, Yuta Asano, Nobuki Ozawa, and Momoji Kubo
- Journal Title
  
  Tribology Letters
  
  Volume: 72 Issue: 2 Pages: 35-35
- DOI
  10.1007/s11249-024-01834-8
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21H01235
[Journal Article] Mechanisms of Chemical-Reaction-Induced Tensile Deformation of an Fe/Ni/Cr Alloy Revealed by Reactive Atomistic Simulations2023
- Author(s)
  Yang Wang, Haoyu Zhao, Chang Liu, Yusuke Ootani, Nobuki Ozawa, and Momoji Kubo
- Journal Title
  
  RSC Advances
  
  Volume: 13 Issue: 10 Pages: 6630-6636
- DOI
  10.1039/d2ra07039a
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Journal Article] Mechanism of Superlubricity of a DLC/Si3N4 Contact in the Presence of Castor Oil and Other Green Lubricants2022
- Author(s)
  Yun Long, Yang Wang, Volker Weihnacht, Stefan Makowski, Momoji Kubo, Jean　Michel Martin, and Maria-Isabel De Barros Buchet
- Journal Title
  
  Friction
  
  Volume: 10 Issue: 10 Pages: 1693-1706
- DOI
  10.1007/s40544-022-0601-1
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Journal Article] Three Tribolayers Self-Generated from SiC Individually Work for Reducing Friction in Different Contact Pressures2022
- Author(s)
  Y. Ootani, J. Xu, F. Nakamura, M. Kawaura, S. Uehara, Y. Wang, N. Ozawa, K. Adachi, M. Kubo
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 126 Issue: 5 Pages: 2728-2736
- DOI
  10.1021/acs.jpcc.1c07668
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05380, KAKENHI-PROJECT-21H01235
[Journal Article] Chemical-Reaction-Induced deformation of Body-Centered cubic iron in supercritical water leading to high risk of cleavage Fracture: A reactive Molecular dynamics study2022
- Author(s)
  Chen Qian、Xu Jingxiang、Su Yixin、Uehara Shuichi、Bai Shandan、Wang Yang、Ootani Yusuke、Ozawa Nobuki、Kubo Momoji
- Journal Title
  
  Computational Materials Science
  
  Volume: 208 Pages: 111354-111354
- DOI
  10.1016/j.commatsci.2022.111354
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19J21195, KAKENHI-PLANNED-18H05453
[Journal Article] Definition of Atomic-Scale Contact: What Dominates the Atomic-Scale Friction Behaviors?2022
- Author(s)
  Yang Wang, Jie Qin, Jingxiang Xu, Junhui Sun, Lei Chen, Linmao Qian, and Momoji Kubo
- Journal Title
  
  Langmuir
  
  Volume: 38 Issue: 38 Pages: 11699-11706
- DOI
  10.1021/acs.langmuir.2c01786
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Journal Article] Cooperative Roles of Chemical Reactions and Mechanical Friction in Chemical Mechanical Polishing of Gallium Nitride Assisted by OH Radicals: Tight-Binding Quantum Chemical Molecular Dynamics Simulations2021
- Author(s)
  K. Kawaguchi, Y. Wang, J. Xu, Y. Ootani, Y. Higuchi, N. Ozawa, M. Kubo
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 23 Issue: 7 Pages: 4075-4084
- DOI
  10.1039/d0cp05826b
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05380, KAKENHI-PROJECT-20K05147, KAKENHI-PROJECT-19H00734
[Journal Article] Heterogeneous yielding mechanisms of body centered cubic iron for high resistance to chemical reaction-induced deterioration in supercritical water environments: A reactive molecular dynamics study2021
- Author(s)
  Chen Qian、Zhang Jing、Liu Zhongmin、Wang Yang、Ootani Yusuke、Xu Jingxiang、Ozawa Nobuki、Kubo Momoji
- Journal Title
  
  Scripta Materialia
  
  Volume: 202 Pages: 113997-113997
- DOI
  10.1016/j.scriptamat.2021.113997
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19J21195, KAKENHI-PLANNED-18H05453
[Journal Article] 水環境における炭化ケイ素の摩擦・摩耗シミュレーションー水潤滑を利用した低摩擦システムの実用化に向けて―2021
- Author(s)
  川浦正之、大谷優介、久保百司
- Journal Title
  
  セラミックス
  
  Volume: 56 Pages: 690-693
- Data Source
  KAKENHI-PROJECT-21H01235
[Journal Article] 摩擦界面において力学的に誘起される化学反応がもたらす摩耗の分子動力学シミュレーション2021
- Author(s)
  大谷優介、王楊、足立幸志、久保百司
- Journal Title
  
  フロンティア
  
  Volume: 3 Pages: 74-80
- Data Source
  KAKENHI-PROJECT-21H01235
[Journal Article] Atom-by-Atom and Sheet-by-Sheet Chemical Mechanical Polishing of Diamond Assisted by OH Radicals: A Tight-Binding Quantum Chemical Molecular Dynamics Simulation Study2021
- Author(s)
  Kawaguchi Kentaro、Wang Yang、Xu Jingxiang、Ootani Yusuke、Higuchi Yuji、Ozawa Nobuki、Kubo Momoji
- Journal Title
  
  ACS Applied Materials & Interfaces
  
  Volume: 13 Issue: 34 Pages: 41231-41237
- DOI
  10.1021/acsami.1c09468
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19H00734, KAKENHI-PROJECT-20K05147
[Journal Article] Interplay of Molecular Dynamics Simulation and Friction Experiment2021
- Author(s)
  大谷優介、足立幸志、久保百司
- Journal Title
  
  JOURNAL OF JAPANESE SOCIETY OF TRIBOLOGISTS
  
  Volume: 66 Issue: 4 Pages: 288-293
- DOI
  10.18914/tribologist.66.04_288
- NAID
  130008024829
- ISSN
  0915-1168, 2189-9967
- Year and Date
  2021-04-15
- Language
  Japanese
- Data Source
  KAKENHI-PROJECT-19K05380, KAKENHI-PROJECT-21H01235
[Journal Article] Triboemission of hydrocarbon molecules from diamond-like carbon friction interface induces atomic-scale wear2019
- Author(s)
  Y. Wang, N. Yamada, J. Xu, J. Zhang, Q. Chen, Y. Ootani, Yuji Higuchi1, Nobuki Ozawa, M.-I. De B. Bouchet, J. M. Martin, S. Mori, K. Adachi, M. Kubo
- Journal Title
  
  Science Advances
  
  Volume: 5 Issue: 11 Pages: 1-9
- DOI
  10.1126/sciadv.aax9301
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H03751, KAKENHI-PROJECT-19J21195
[Journal Article] Diamond-Like Carbon Coating under Oleic Acid Lubrication: Evidence for Graphene Oxide Formation in Superlow Friction2017
- Author(s)
  M. I. De Barros Bouchet, J. M. Martin, J. Avila, M. Kano, K. Yoshida, T. Tsuruda, S. Bai, Y. Higuchi, N. Ozawa, M. Kubo, and M. C. Asensio
- Journal Title
  
  Sci. Rep.
  
  Volume: 7 Issue: 1 Pages: 46394-46394
- DOI
  10.1038/srep46394
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Journal Article] Tight-Binding Quantum Chemical Molecular Dynamics Simulations for the Elucidation of Chemical Reaction Dynamics in SiC Etching with SF6/O2 Plasma2016
- Author(s)
  H. Ito, T. Kuwahara, K. Kawaguchi, Y. Higuchi, N. Ozawa, and M. Kubo
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 18 Issue: 11 Pages: 7808-7819
- DOI
  10.1039/c5cp06515a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26249011, KAKENHI-PROJECT-13J04454, KAKENHI-PROJECT-13J04457
[Journal Article] Coarse-Grained Molecular Dynamics Simulation of Void Growth Process in the Block Structure of Semicrystalline Polymers2016
- Author(s)
  Y. Higuchi and M. Kubo
- Journal Title
  
  Model. Simul. Mater. Sci. Eng.
  
  Volume: 24 Issue: 5 Pages: 055006-055006
- DOI
  10.1088/0965-0393/24/5/055006
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26249011
[Journal Article] Atomistic Mechanisms of Chemical Mechanical Polishing of a Cu Surface in Aqueous H2O2: Tight-Binding Quantum Chemical Molecular Dynamics Simulations2016
- Author(s)
  Kentaro Kawaguchi, Hiroshi Ito, Takuya Kuwahara, Yuji Higuchi, Nobuki Ozawa, and Momoji Kubo
- Journal Title
  
  ACS Applied Materials & Interfaces
  
  Volume: - Issue: 18 Pages: 11830-11841
- DOI
  10.1021/acsami.5b11910
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26820029, KAKENHI-PROJECT-26249011, KAKENHI-PROJECT-15J02619
[Journal Article] Large-Scale Coarse-Grained Molecular Dynamics Simulation Based on MPI Parallel Computing: Mechanical Properties of Polymers in Molecular Scale2016
- Author(s)
  Y. Higuchi and M. Kubo
- Journal Title
  
  HPCS Series
  
  Volume: - Pages: 9-14
- NAID
  170000164313
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26249011
[Journal Article] Origin of Chemical Order in a-SixCyHz: Density-Functional Tight-Binding Molecular Dynamics and Statistical Thermodynamics Calculations2016
- Author(s)
  T. Kuwahara, H. Ito, K. Kawaguchi, Y. Higuchi, N. Ozawa, and M. Kubo
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 120 Issue: 5 Pages: 2615-2627
- DOI
  10.1021/acs.jpcc.5b08561
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26249011, KAKENHI-PROJECT-13J04454, KAKENHI-PROJECT-13J04457
[Journal Article] Computational Study on Low Friction Mechanism of Diamond-Like Carbon Induced by Oxidation Reaction2016
- Author(s)
  S. Bai, J. Xu, Y. Higuchi, N. Ozawa, K. Adachi, S. Mori, K. Kurihara, and M. Kubo
- Journal Title
  
  Proceedings of the 16th International Conference on Nanotechnolog
  
  Volume: - Pages: 941-943
- DOI
  10.1109/nano.2016.7751361
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26249011
[Journal Article] Nanoscratching of Multi-Layer Graphene by Molecular Dynamics Simulations2015
- Author(s)
  Q. Zhang, D.F. Diao, and M. Kubo
- Journal Title
  
  Tribology Intern.
  
  Volume: 88 Pages: 85-88
- DOI
  10.1016/j.triboint.2015.03.004
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Journal Article] Different Dynamic Behaviors of the Dissociation and Recombination Reactions in a Model Calculation of Polyethylene by First-Principles Steered Molecular Dynamics Simulation2015
- Author(s)
  Y. Higuchi, T. Ishikawa, N. Ozawa, L. Chazeau, J.-Y. Cavaille and M. Kubo
- Journal Title
  
  Chem. Phys.
  
  Volume: 459 Pages: 96-101
- DOI
  10.1016/j.chemphys.2015.08.007
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Journal Article] The reason why thin-film silicon grows layer by layer in plasma-enhanced chemical vapor deposition2015
- Author(s)
  Takuya Kuwahara, Hiroshi Ito, Kentaro Kawaguchi, Yuji Higuchi, Nobuki Ozawa, Momoji Kubo
- Journal Title
  
  Scientific Reports
  
  Volume: 5 Issue: 1 Pages: 9052-9052
- DOI
  10.1038/srep09052
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-13J04454, KAKENHI-PROJECT-13J04457, KAKENHI-PROJECT-26249011
[Journal Article] Tight-binding quantum chemical molecular dynamics simulations of the low friction mechanism of fluorine-terminated diamond-like carbon films2014
- Author(s)
  Shandan Bai, Hiroki Murabayashi, Yoshihiko Kobayashi, Yuji Higuchi, Nobuki Ozawa,　Koshi Adachi, Jean Michel Martin, and Momoji Kubo
- Journal Title
  
  RSC Advances
  
  Volume: 4 Issue: 64 Pages: 33739-33748
- DOI
  10.1039/c4ra04065a
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-13J04250, KAKENHI-PROJECT-26249011
[Journal Article] Tribo-Chemical Reaction of Molybdenum Dithiocarbamate on Diamond-like Carbon Films: Quantum Chemical Molecular Dynamics Simulation2014
- Author(s)
  H. Murabayashi, T. Tsuruda, Y. Wang, Y. Kobayashi, S. Bai, Y. Higuchi, N. Ozawa, K. Adachi, and M. Kubo
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 13 Issue: 3 Pages: 177-178
- DOI
  10.2477/jccj.2014-0034
- NAID
  130004694027
- ISSN
  1347-1767, 1347-3824
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26249011
[Journal Article] Tribochemical Reaction Dynamics of Molybdenum Dithiocarbamate on Nascent Iron Surface : A Hybrid Quantum Chemical/Classical Molecular Dynamics Study2010
- Author(s)
  T.Onodera, M.Kubo, et al
- Journal Title
  
  Journal of Nanoscience and Nanotechnology
  
  Volume: 10 Pages: 2495-2502
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22360065
[Journal Article] Development of a Quantum Chemical Molecular Dynamics Tribochemical Simulator and Its Application to Tribochemical Reaction Dynamics of Lubricant Additives2010
- Author(s)
  T.Onodera, M.Kubo, et al
- Journal Title
  
  Modelling and Simulation in Materials Science and Engineering
  
  Volume: 18 Pages: 34009-34009
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22360065
[Journal Article] A Computational Chemistry Study on Friction of h-MoS_2.Part II. Frictional Anisotoropy2010
- Author(s)
  T.Onodera, M.Kubo, et al
- Journal Title
  
  The Journal of Physical Chemistry B
  
  Volume: 114 Pages: 15832-15838
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22360065
[Journal Article] A Theoretical Study of Initial Deposition Processes of Mg on MgO : A Novel Quantum Chemical Molecular Dynamics Approach2009
- Author(s)
  A. Endou, H. Onuma, H. Kikuchi, I. Yamashita, K. Serizawa, K. Inaba, R. Sato, M. Koyama, H. Tsuboi, N. Hatakeyama, H. Takaba, C. A. Del Carpio, M. Kubo, H. Kajiyama,and A. Miyamoto
- Journal Title
  
  Jpn.J.Appl.Phys. 48,04C126
- NAID
  210000066637
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350094
[Journal Article] Novel Method Based on Quantum Chemistry for Calculation of Ion Induced Secondary Electron Emission Coefficient of MgO Surfaces2009
- Author(s)
  K. Serizawa, H. Onuma, H. Kikuchi, M. Kitagaki, I. Yamashita, A. Suzuki, R. Sahnoun, M. Koyama, H. Tsuboi, N. Hatakeyama, A. Endou, H. Takaba, C.A. Del Carpio, M. Kubo, H. Kajiyama,and A. Miyamoto
- Journal Title
  
  Jpn.J.Appl.Phys. 48,04C145
- NAID
  210000066656
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350094
[Journal Article] 分子動力学法によるコールドスプレーで施工したNi基超合金粒子の付着メカニズムの基礎的検討2009
- Author(s)
  恩地智史、小川和洋、久保百司
- Journal Title
  
  溶射 46
  
  Pages: 116-120
- NAID
  10025408436
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17106002
[Journal Article] Large-Scale Electronic Structure Calculation on Blue Phosphor BaMgAl_<10>O_<17> : Eu^<2+> Using Tight-Binding Quantum Chemistry Method Implemented for Rare-Earth Elements2007
- Author(s)
  H. Onuma, H. Tsuboi, M. Koyama, A. Endou, H. Takaba, M. Kubo, C.A. Del Carpio, P. Selvam,and A. Miyamoto
- Journal Title
  
  Jpn.J.Appl.Phys. 46
  
  Pages: 2534-2541
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350094
[Journal Article] Electronic Structure and Electrical Conductivity of MgO Protecting Layer in Plasma-Display Panels : A Tight-Binding Quantum Chemical Study2007
- Author(s)
  A. Miyamoto, H. Kikuchi, H. Onuma, H. Tsuboi, M. Koyama, N. Hatakeyama, A. Endou, H. Takaba, M. Kubo,and C.A. Del Carpio
- Journal Title
  
  J.Soc.Inf.Display 15
  
  Pages: 307-313
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350094
[Journal Article] Effect of Surface Contamination on Destruction and Recrystallization Dynamics of MgO Protecting Layer in Plasma Display Panel by Molecular Dynamics Simulation Method2007
- Author(s)
  M. Kubo, et. al.
- Journal Title
  
  Proc. 14th Intern. Display Workshops
  
  Pages: 787-790
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18350094
[Journal Article] Quantum Chemical Molecular Dynamics and Kinetic Monte Carlo Approach to the Design of MgO Protecting Layer in Plasma Display Panel2006
- Author(s)
  M.Kubo, et al.
- Journal Title
  
  Proc. 6th Intern. Meeting Inform. Display / 5th Intern. Display Manufact. Conf.
  
  Pages: 371-374
- Data Source
  KAKENHI-PROJECT-18350094
[Journal Article] Degradation Mechanism Analysis of Structural Materials in Operating Energy Conversion Systems : Computational Chemistry Study2006
- Author(s)
  K.Suzuki, H.Ito, M.Kubo, H.Miura, A.Miyamoto, T.Shoji
- Journal Title
  
  Proceeding of The 4th International Symposium on Nanotechnology
  
  Pages: 130-131
- Data Source
  KAKENHI-PROJECT-17106002
[Journal Article] Destruction and Recrystallization Dynamics of MgO Protecting Layer in Plasma Display Panel by Molecular Dynamics and Quantum Chemical Molecular Dynamics Methods2006
- Author(s)
  M.Kubo, et al.
- Journal Title
  
  Proc. 13th Intern. Display Workshops
  
  Pages: 337-340
- Data Source
  KAKENHI-PROJECT-18350094
[Journal Article] Computational Chemistry Study of Solid and Aqueous Solution Interface2005
- Author(s)
  U.Mart, C.Jung, M.Koyama, M.Kubo, A.Miyamoto
- Journal Title
  
  Applied Surface Science 244
  
  Pages: 640-643
- Data Source
  KAKENHI-PROJECT-17106002
[Presentation] Recent Advancement of Tribology Simulation: Neural Network Potential Molecular Dynamics2024
- Author(s)
  Momoji Kubo
- Organizer
  KTH-Tohoku University Workshop in Lulea
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] Atomistic Tribology Simulation: Recent Advancement and Future Direction2023
- Author(s)
  Momoji Kubo
- Organizer
  9th International Tribology Conference, Fukuoka 2023
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] スーパーコンピュータを活用した力学と化学反応の協奏現象シミュレーション2023
- Author(s)
  久保百司
- Organizer
  計算科学と情報学を用いた材料開発の新展開-2023
- Invited
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] Super-Large-Scale Molecular Dynamics Simulations on Chemical Reaction　Dynamics and Nano-Mechanics by Supercomputer “MASAMUNE-IMR”2023
- Author(s)
  Momoji Kubo
- Organizer
  Seminar of Multi-Scale and Multi-Physics Computational Simulation Approach in Various Fields of Engineering
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] スーパーコンピュータを活用した金属材料の腐食・摩耗現象の反応分子動力学シミュレーション2023
- Author(s)
  久保百司
- Organizer
  金属学会2023年秋期講演大会
- Invited
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] Atomistic Tribology Simulation - Present and Future Direction2023
- Author(s)
  Momoji Kubo
- Organizer
  Mini-Symposium on Simulations of Interfaces and Ionic Materials
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] スーパーコンピュータを活用した材料科学シミュレーション2023
- Author(s)
  久保百司
- Organizer
  工学院大学大学院工学研究科化学応用学専攻化学応用学特論A
- Invited
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] マテリアルズインフォマティクスの基盤となる計算材料科学シミュレーションへの取組2023
- Author(s)
  久保百司
- Organizer
  表面・界面技術セミナー「グリーンイノベーションシンポジウム”かけ算の技術と地域活性化”」
- Invited
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] Large-Scale Molecular Dynamics Simulations on Concerted Processes of Chemical Reactions at Nano-Scale and Mechanics at Meso-Scale in Friction Interfaces2023
- Author(s)
  Momoji Kubo
- Organizer
  Joint USA-European Symposium on “Extreme-Scale Simulations, Machine Learning, and Neutron & X-Ray Scattering for Quantum Materials"
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] CVDプロセスと摩耗プロセスの全原子分子動力学シミュレーション2023
- Author(s)
  久保百司
- Organizer
  化学工学会反応工学部会CVD反応分科会第37回シンポジウム「CVDと薄膜の計算科学」
- Invited
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] Multi-Physics Simulations of Flow, Friction, and Reactions in Solid/Liquid Interface2023
- Author(s)
  Momoji Kubo
- Organizer
  10th International Congress on Industrial and Applied Mathematics
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] Large-Scale Molecular Dynamics Simulations on Chemical-Reaction-Induced Wear Processes of Diamond-like Carbon Films2022
- Author(s)
  Momoji Kubo
- Organizer
  2nd International Conference on Materials Genome
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] スーパーコンピュータを活用した超大規模計算が実現する材料設計のパラダイムシフト2022
- Author(s)
  久保百司
- Organizer
  日本無機薬品協会第36回技術講演会
- Invited
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] 自動車用材料の理論設計のためのスーパーコンピュータを活用した超大規模反応分子動力学シミュレーション2022
- Author(s)
  久保百司
- Organizer
  材料MBRコンソーシアム勉強会
- Invited
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] Large-Scale Molecular Dynamics Simulations on Chemical and Mechanical Wear Processes of Solid Lubricants2022
- Author(s)
  Momoji Kubo
- Organizer
  The 10th International Conference on Multiscale Materials Modeling (MMM10)
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] Large-Scale Molecular Dynamics Simulations on Chemical and Mechanical Wear Processes of Solid Lubricants2022
- Author(s)
  Momoji Kubo
- Organizer
  10th International Conference on Multiscale Materials Modeling
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] Large-Scale Molecular Dynamics Simulations by Supercomputer Gives Paradigm Shifts on Theoretical Research on Tribology2022
- Author(s)
  Momoji Kubo
- Organizer
  2022 JSME-IIP/ASME-ISPS Joint Conference on Micromechatronics for Information and Precision Equipment
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] トライボ協奏反応の分子動力学シミュレーション2022
- Author(s)
  久保百司
- Organizer
  第53回トライボロジーフォーラム研究会
- Invited
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] Superlarge-Scale Molecular Dynamics Simulations on Wear, Corrosion, and Cracking Mechanisms2021
- Author(s)
  Momoji Kubo
- Organizer
  24th International Annual Symposium on Computational Science and Engineering
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] 超大規模計算によるパラダイムシフト2021
- Author(s)
  久保百司
- Organizer
  BIOVIA User Conference
- Invited
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] Supercomputer “MASAMUNE-IMR” Gives Paradigm Shifts on Atomistic Wear, Corrosion, and Cracking Simulations2021
- Author(s)
  Momoji Kubo
- Organizer
  The 5th Symposium for The Core Research Cluster for Materials Science and Spintronics, and the 4th Symposium on International Joint Graduate Program in Materials Science
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] 第一原理計算によるハイエントロピー合金の諸特性の評価2021
- Author(s)
  都留智仁，イバンロブゼンコ，椎原良典，魏代修，弓削是貴，青柳吉輝，下川智嗣，久保百司，尾方成信，加藤秀実，橋本直幸，上田幹人，林重成，岡弘，礒部繁人
- Organizer
  日本金属学会2021年秋期（第169回）講演大会
- Invited
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] スーパーコンピュータ"MASAMUNE-IMR"を活用した大規模計算科学シミュレーション2021
- Author(s)
  久保百司
- Organizer
  第91回金属材料研究所夏期講習会
- Invited
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] スーパーコンピュータを活用した超大規模並列計算による材料設計のパラダイムシフト2021
- Author(s)
  久保百司
- Organizer
  CURIEセミナー
- Invited
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] Supercomputer “MASAMUNE-IMR” Gives Paradigm Shifts on Atomistic Wear, Corrosion, and Cracking Simulations2021
- Author(s)
  M. Kubo
- Organizer
  The 5th Symposium for The Core Research Cluster for Materials Science and Spintronics, and the 4th Symposium on International Joint Graduate Program in Materials Science
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] スーパーコンピュータ"MASAMUNE-IMR"を活用した大規模計算科学シミュレーション2021
- Author(s)
  久保百司
- Organizer
  91回金属材料研究所夏期講習会
- Invited
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] ハイエントロピー合金の圧延加工組織に関する結晶塑性FEM解析2021
- Author(s)
  青柳吉輝, 小林亮太, 都留智仁, 弓削是貴, 下川智嗣, 久保百司, 尾方成信
- Organizer
  日本金属学会2021年春期講演大会
- Invited
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] Superlarge-Scale Molecular Dynamics Simulations on Wear, Corrosion, and Cracking Mechanisms2021
- Author(s)
  M. Kubo
- Organizer
  24th International Annual Symposium on Computational Science and Engineering
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] スーパーコンピュータを活用した超大規模並列計算による材料設計のパラダイムシフト2021
- Author(s)
  久保百司
- Organizer
  CURIEセミナー
- Invited
- Data Source
  KAKENHI-PROJECT-21H01235
[Presentation] 真空と水環境におけるFeNiCrCoMo系ハイエントロピー合金の応力割れプロセスの分子動力学シミュレーション2021
- Author(s)
  劉暢，陳茜，王楊，大谷優介，尾澤伸樹，久保百司
- Organizer
  日本金属学会第168回講演大会
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] BCCハイエントロピー合金における短距離秩序と転位構造の第一原理計算2021
- Author(s)
  都留智仁，イバンロブゼンコ，弓削是貴，青柳吉輝，下川智嗣，久保百司，尾方成信
- Organizer
  金属学会2021年春期(第168回)講演大会
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] 超大規模計算によるパラダイムシフト2021
- Author(s)
  久保百司
- Organizer
  BIOVIA User Conference
- Invited
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] ハイエントロピー合金における応力腐食割れの反応分子動力学シミュレーション2020
- Author(s)
  久保百司
- Organizer
  日本金属学会2020年秋期講演大会
- Invited
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] 計算材料科学によるハイエントロピー合金の力学特性の解明2020
- Author(s)
  尾方成信、都留智仁、下川智嗣、久保百司、青柳吉輝、弓削是貴
- Organizer
  日本金属学会2020年秋期講演会大会
- Invited
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] Stress Corrosion Cracking Mechanism of FCC Type High-entropy Alloys Structural Materials under High Temperature Pressurized Water Environment by Molecular Dynamics Simulation2020
- Author(s)
  C. Liu, Q. Chen, Y. Wang, N. Miyazaki, Y. Ootani, N. Ozawa, M. Kubo
- Organizer
  TMS 2020 149th Annual Meeting & Exhibition
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] 計算科学シミュレーションによるハイエントロピー合金の応力腐食割れ現象の解明と材料設計2020
- Author(s)
  久保百司
- Organizer
  日本鉄鋼協会・日本金属学会関西支部鉄鋼プロセス研究会・材料化学研究会令和2年度合同講演会
- Invited
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] 複数のナノバブルを用いたAlN基板の化学機械研磨における大規模分子動力学シミュレーション2019
- Author(s)
  木村颯太, 王楊, 宮崎成正, 大谷優介, 尾澤伸樹, 久保百司
- Organizer
  精密工学会2019年度秋季大会
- Data Source
  KAKENHI-PROJECT-19H00734
[Presentation] First-principles predictions of dislocation motion in high-entropy alloys2019
- Author(s)
  T. Tsuru, M. Itakura, K. Yuge, Y. Aoyagi, T. Shimokawa, M. Kubo, S. Ogata
- Organizer
  The 10th Pacific Rim International Conference on Advanced Materials and Processing (PRICM-10)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] Chemical Mechanical Polishing Process with Nanobubbles of Nitride Semiconductor Substrate: Molecular Dynamics Investigation2019
- Author(s)
  Sota Kimura, Narumasa Miyazaki, Yusuke Ootani, Nobuki Ozawa, Momoji Kubo
- Organizer
  ITC2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19H00734
[Presentation] Reactive Molecular Dynamics Simulation of Intergranular Stress Corrosion Cracking Process of FeNiCr Based High Entropy Alloy2019
- Author(s)
  N. Miyazaki, C. Liu, Q. Chen, M. Kubo
- Organizer
  Materials Research Meeting 2019
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] First-principles modeling for dislocation motion of HEA alloys2019
- Author(s)
  T. Tsuru, M. Itakura, K. Yuge, Y. Aoyagi, T. Shimokawa, M. Kubo, S. Ogata
- Organizer
  The 4th International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics (ISAM4-2019)
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] 分子動力学法を用いた腐食環境下における FCC 型ハイエントロピー合金の粒界割れメカニズムの検討2019
- Author(s)
  劉暢，栁澤穂波，陳茜，王楊，宮崎成正，大谷優介，尾澤伸樹，久保百司
- Organizer
  第5回材料WEEK 材料シンポジウム　ワークショップ
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] Large-scale Molecular Dynamics Simulations on Chemical Mechanical Polishing Process of AlN Substrate with Nanobubbles2019
- Author(s)
  Sota Kimura, Wang Yang, Narumasa Miyazaki, Yusuke Ootani, Nobuki Ozawa, Momoji Kubo
- Organizer
  WINDS2019
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19H00734
[Presentation] Nanobubble Collapse Simulation for Efficient Chemical Mechanical Polishing of Aluminum Nitride by Molecular Dynamics Method2019
- Author(s)
  Sota Kimura, Narumasa Miyazaki, Yusuke Ootani, Nobuki Ozawa, Momoji Kubo
- Organizer
  Tribochemistry
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19H00734
[Presentation] FCC型FeNiCr系ハイエントロピー合金の応力腐食割れプロセスの分子動力学シミュレーション2019
- Author(s)
  劉暢，陳茜，王楊，宮崎成正，大谷優介，尾澤伸樹，久保百司
- Organizer
  コンピュータ化学会2019年春季年会
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] 第一原理計算によるハイエントロピー合金の転位構造と運動に関する研究2019
- Author(s)
  都留智仁・弓削是貴・青柳吉輝・下川智嗣・久保百司・尾方成信
- Organizer
  日本金属学会2019年秋期（第165回）講演大会
- Invited
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] Reactive Molecular Dynamics Simulation of Crack Propagation Process of High Entropy Alloy under Pressurized High Temperature Water2019
- Author(s)
  N. Miyazaki, C. Liu, Q. Chen, H. Yanagisawa, Y. Ootani, N. Ozawa, M. Kubo
- Organizer
  The 10th Pacific Rim International Conference on Advance Materials and Processing
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] The Effect of the Al2O3 Film on Stress Corrosion Cracking of the Ni-Al Alloy in High Temperature and Pressure Water Analyzed by Molecular Dynamics Simulation2019
- Author(s)
  H. Yanagisawa, Q. Chen, N. Miyazaki, Y. Ootani, N. Ozawa and M. Kubo
- Organizer
  43rd International Conference and Expo on Advanced Ceramics and Composites
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] Molecular Dynamics Simulation on Intergranular Cracking Mechanism of FCC Type High-Entropy Alloys Structural Materials in High-Temperature Pressurized Water Environment2019
- Author(s)
  C. Liu, Q. Chen, Y. Wang, N. Miyazaki, Y. Ootani, N. Ozawa, M. Kubo
- Organizer
  EMN Hong Kong Meeting 2019
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] １千万原子系大規模分子動力学解析による多結晶チタンの粒界割れメカニズムの検討2018
- Author(s)
  宮崎成正，大谷優介，尾澤伸樹，久保百司
- Organizer
  日本金属学会2018年秋期講演（第163回）大会
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] 高温高圧下のNi/Ni3Al整合界面における応力腐食割れメカニズムの分子動力学解析2018
- Author(s)
  栁澤穂波, 陳茜, 宮崎成正, 大谷優介, 尾澤伸樹, 久保百司
- Organizer
  2018年度精密工学会秋季大会学術講演会
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] Reactive Molecular Dynamics Simulation on Stress Corrosion Cracking of Steel under High Temperature Pressurized Water Environment2018
- Author(s)
  Q. Chen, N. Miyazaki, Y. Ootani, N. Ozawa and M. Kubo
- Organizer
  First Symposium on Multi-Scale and Multi-Physics Computational Materials Science
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] Large-Scale Reactive Molecular Dynamics Analysis for the Intergranular Stress Corrosion Cracking Mechanism on Titanium under Water Environment2018
- Author(s)
  N. Miyazaki, Y. Ootani, N. Ozawa and M. Kubo
- Organizer
  Summit of Materials Science 2018
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] Molecular Dynamics Simulation on Intergranular Cracking Mechanism of Iron Material in High Temperature Pressurized Water Environment2018
- Author(s)
  Q. Chen, J. Xu, Y. Ootani, N. Ozawa and M. Kubo,
- Organizer
  The 9th international conference on Multiscale Materials Modeling
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] 計算科学に基づく高温・高圧水環境下における鉄鋼材料の粒界破壊メカニズムの検討2018
- Author(s)
  陳茜，栁澤穂波，宮崎成正，大谷優介，尾澤伸樹，久保百司
- Organizer
  2018年度精密工学会秋季大会学術講演会
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] Failure Mechanisms of Steels under High Temperature Pressurized Water Environment - A Reactive Molecular Dynamics Study2018
- Author(s)
  Q. Chen, N. Miyazaki, Y. Ootani, N. Ozawa and M. Kubo
- Organizer
  Lectures at the State Key Laboratory for Manufacturing System Engineering, School of Mechanical Engineering, Xi'an Jiaotong University, Xi’an
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05453
[Presentation] マテリアルズインフォーマティクスのための計算化学と材料設計2017
- Author(s)
  久保百司
- Organizer
  日本電子材料技術協会セミナー
- Place of Presentation
  早稲田大学、東京
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] 現場を見据えたマルチフィジックス計算科学シミュレーション技術～実際の適用例とその成果、今後の課題と可能性～2017
- Author(s)
  久保百司
- Organizer
  情報機構セミナー
- Place of Presentation
  大田区産業プラザ、東京
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Superlubricity of ta-C with Oleic Acid Evidence for Graphene Oxide Formation2016
- Author(s)
  Momoji Kubo, De Barros Bouchet Maria Isabel, and Jean Michel Martin
- Organizer
  TFC ElyT Workshop 2016
- Place of Presentation
  Zao, Japan
- Year and Date
  2016-10-06
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Quantum Chemical Molecular Dynamics Simulations on Tribological and Mechanical Properties of Diamond-Like Carbon2016
- Author(s)
  Momoji Kubo
- Organizer
  BIT’s 2nd Annual World Congress of Smart Materials 2016
- Place of Presentation
  Singapore, Singapore
- Year and Date
  2016-03-04
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Super-Low Friction Property of Si-doped Diamond-Like Carbon by the Generation of Graphene Structure: Quantum Chemical Molecular Dynamics Simulations2016
- Author(s)
  Momoji Kubo, Shandan Bai, Miho Nakamura, Yuji Higuchi, Nobuki Ozawa
- Organizer
  CIMTEC 2016
- Place of Presentation
  Perugia, Italy
- Year and Date
  2016-06-05
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] 計算科学シミュレーションによるダイヤモンドライクカーボンの超低摩擦機能の設計2016
- Author(s)
  久保百司
- Organizer
  産業技術連携推進会議製造プロセス部会表面技術分科会平成28年度第3回DLC技術研究会
- Place of Presentation
  宮城県自治会館、仙台
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] 摩擦と化学反応が複雑に絡み合ったトライボ化学反応の計算科学シミュレーション2016
- Author(s)
  久保百司
- Organizer
  2016年度第1回トライボケミストリー研究会
- Place of Presentation
  函館市民会館、函館
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Quantum Chemical Molecular Dynamics Simulations on Control of Tribochemical Reaction Dynamics for Design of Super-Low Friction System2016
- Author(s)
  Momoji Kubo
- Organizer
  EMN Phuket Meeting 2016 Energy Materials and Nanotechnology
- Place of Presentation
  Phuket, Thailand
- Year and Date
  2016-11-03
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Tight-Binding Quantum Chemical Molecular Dynamics Simulations on Synthesis and Etching Processes of Silicon Carbide2016
- Author(s)
  Momoji Kubo
- Organizer
  PRICM9
- Place of Presentation
  Kyoto, Japan
- Year and Date
  2016-08-01
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] 計算科学による超低摩擦材料設計のための摩擦プロセスシミュレーション2016
- Author(s)
  久保百司
- Organizer
  第65回高分子討論会
- Place of Presentation
  神奈川大学横浜キャンパス、横浜
- Year and Date
  2016-09-14
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Tight-Binding Quantum Chemical Molecular Dynamics Simulations on Tribochemical Reaction Dynamics of Diamond-Like Carbon Thin Films2016
- Author(s)
  Momoji Kubo
- Organizer
  8th International Conference on Multiscale Materials Modeling
- Place of Presentation
  Dijon, France
- Year and Date
  2016-10-09
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] 量子分子動力学法によるダイヤモンドライクカーボンとMoDTCのトライボ化学反応ダイナミクス2016
- Author(s)
  久保百司、村林宏紀、渡瀬恵子、大谷優介、西松毅、樋口祐次、尾澤伸樹
- Organizer
  第27回内燃機関シンポジウム
- Place of Presentation
  東京工業大学、東京
- Year and Date
  2016-12-05
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] マルチフィジックス計算科学シミュレーションとデータ科学2016
- Author(s)
  久保百司
- Organizer
  分子技術と理論計算・データ科学
- Place of Presentation
  大阪大学豊中キャンパス、大阪
- Year and Date
  2016-03-14
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Super-Low Friction Mechanism of Diamond-Like Carbon Thin Films: Tight-Binding Quantum Chemical Molecular Dynamics Simulations2016
- Author(s)
  Momoji Kubo
- Organizer
  Global Nanotechnology Congress and EXPO
- Place of Presentation
  Dubai, United Arab Emirates
- Year and Date
  2016-04-21
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] スーパーコンピュータを活用した計算科学2016
- Author(s)
  久保百司
- Organizer
  第7回ナノテク・低炭素化材料技術シンポジウム
- Place of Presentation
  東北大学原子分子材料科学高等研究機構、仙台
- Year and Date
  2016-01-12
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Multi-Physics Quantum Chemical Molecular Dynamics Simulations for the Design and Control of Chemical Reaction Dynamics2015
- Author(s)
  Momoji Kubo
- Organizer
  Theoretical Chemistry Colloquium
- Place of Presentation
  Taipei, Taiwan
- Year and Date
  2015-05-01
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Development of Multi-Physics Simulators Based on Quantum Chemical Molecular Dynamics Method for Tribology, MEMS, and Energy Systems2015
- Author(s)
  Momoji Kubo
- Organizer
  The 10th Anniversary General Meeting of ACCMS-VO (Asian Consortium on Computational Materials Science - Virtual Organization)
- Place of Presentation
  Sendai, Japan
- Year and Date
  2015-11-01
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] 量子分子動力学法によるトライボロジーシミュレーション2015
- Author(s)
  久保百司
- Organizer
  トライボロジー会議2015春
- Place of Presentation
  姫路商工会議所、姫路
- Year and Date
  2015-05-27
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Development of Multi-Physics and Multi-Scale Simulators on MEMS, Semiconductor, and Tribology Processes2015
- Author(s)
  Momoji Kubo
- Organizer
  Xi’an Jiaotong University MEMS Seminar
- Place of Presentation
  Xi’an, China
- Year and Date
  2015-09-02
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] 量子化学に基づくマルチフィジックス・マルチスケールシミュレータの開発とシステム・材料設計への応用2015
- Author(s)
  久保百司
- Organizer
  日本コンピュータ化学会2015春季年会
- Place of Presentation
  東京工業大学大岡山キャンパス、東京
- Year and Date
  2015-05-28
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] 計算科学シミュレーションの“現場”での活用ポイント・ノウハウ～各種ナノ材料設計、成膜、半導体・ナノ加工～2015
- Author(s)
  久保百司
- Organizer
  情報機構セミナー
- Place of Presentation
  大田区産業プラザ、東京
- Year and Date
  2015-11-20
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Quantum Chemical Molecular Dynamics Simulations on Tribochemical Reaction Dynamics and Its Influence on Mechanical Properties2015
- Author(s)
  Momoji Kubo
- Organizer
  International Workshop on Multiscale Computations on Mechanical Properties
- Place of Presentation
  Sendai, Japan
- Year and Date
  2015-10-13
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] 摩擦と化学反応が複雑に絡み合ったマルチフィジックス現象の計算科学シミュレーション2015
- Author(s)
  久保百司
- Organizer
  東北大学大学院薬学研究科セミナー
- Place of Presentation
  東北大学大学院薬学研究科、仙台
- Year and Date
  2015-10-23
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] トライボ化学反応ダイナミクスのマルチフィジックスシミュレーション2015
- Author(s)
  久保百司
- Organizer
  トライボロジー懇談会
- Place of Presentation
  東北大学青葉山キャンパス
- Year and Date
  2015-01-26
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] 化学反応を考慮したマルチフィジックスシミュレータの開発とマルチスケールへの展開2015
- Author(s)
  久保百司
- Organizer
  第2回計算科学を活用した機能性材料開発ワークショップ
- Place of Presentation
  新エネルギー・産業技術総合開発機構本部、川崎
- Year and Date
  2015-06-04
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Development of Multi-Physics Simulator Based on First-Principles and Tight-Binding Quantum Chemical Molecular Dynamics Method2015
- Author(s)
  Momoji Kubo
- Organizer
  2015 Symposium on Material Science and Energy Perspectives
- Place of Presentation
  Taipei, Taiwan
- Year and Date
  2015-04-30
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] 計算科学シミュレーション技術の基礎と各応用事例～現場で“使える”計算科学～2014
- Author(s)
  久保百司
- Organizer
  情報機構セミナー
- Place of Presentation
  江東区産業会館
- Year and Date
  2014-11-21
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Quantum Chemical Molecular Dynamics Simulation on Super-Low Friction Mechanism of Diamond-Like Carbon2010
- Author(s)
  M.Kubo
- Organizer
  International Conference on Science of Friction
- Place of Presentation
  三重
- Year and Date
  2010-09-15
- Data Source
  KAKENHI-PROJECT-22360065
[Presentation] Nanotechnology for Fracture and Reliability for Plants : Quantum Chemical Molecular Dynamics Approach2009
- Author(s)
  M. Kubo
- Organizer
  Plant Reliability Management
- Place of Presentation
  Bangkok, Thailand
- Year and Date
  2009-11-05
- Data Source
  KAKENHI-PROJECT-17106002
[Presentation] 量子分子動力学による破壊現象ダイナミクス2009
- Author(s)
  久保百司
- Organizer
  骨本原子力学会2009年春の年会
- Place of Presentation
  東京工業大学
- Year and Date
  2009-03-23
- Data Source
  KAKENHI-PROJECT-17106002
[Presentation] マルチフィジックス計算科学による燃料電池の性能・劣化解析と理論設計2009
- Author(s)
  久保百司
- Organizer
  とうほく6県新技術・新工法展示商談会
- Place of Presentation
  トヨタ自動車、豊田
- Data Source
  KAKENHI-PROJECT-20656131
[Presentation] Molecular Dynamics and Quantum Chemical Molecular Dynamics Simulations for the Design of MgO Protecting Layer in Plasma Display Panel2008
- Author(s)
  Momoji Kubo
- Organizer
  The 8th International Meeting on Information Display, International Display Manufacturing Conference, and Asia Display
- Place of Presentation
  Ilsan,Korea(招待講演)
- Data Source
  KAKENHI-PROJECT-18350094
[Presentation] Molecular Dynamics and Quantum Chemical Molecular Dynamics Simulations for the Design of MgO Protecting Layer in Plasma Display Panel2008
- Author(s)
  M. Kubo
- Organizer
  International Meeting on Information Display / International Display Manufacturing Conference / ASIA Display 2008
- Place of Presentation
  I lsan, Korea
- Year and Date
  2008-10-16
- Data Source
  KAKENHI-PROJECT-18350094
[Presentation] 量子論に基づくマルチフィジックスシミュレータの触媒・材料設計への応用2008
- Author(s)
  久保百司
- Organizer
  理論計算によるクラスター・触媒の機能解明講演会
- Place of Presentation
  大阪大学豊中キャンパス
- Year and Date
  2008-12-19
- Data Source
  KAKENHI-PROJECT-20656131
[Presentation] プラズマディスプレイ用MgO保護膜のためのマルチスケールシミュレータの開発2007
- Author(s)
  久保百司
- Organizer
  第68回応用物理学会学術講演会
- Place of Presentation
  北海道工業大学
- Year and Date
  2007-09-05
- Data Source
  KAKENHI-PROJECT-18350094
[Presentation] 材料物性シミュレーション2006
- Author(s)
  久保百司
- Organizer
  第3回次世代ディスプレイシンポジウム(東京大学生産技術研究所)
- Place of Presentation
  東京(招待講演)
- Year and Date
  2006-11-08
- Data Source
  KAKENHI-PROJECT-18350094
[Presentation] PDP用MgO保護膜における劣化メカニズムの解析および耐久性・二次電子放出能向上2006
- Author(s)
  久保百司
- Organizer
  技術情報協会講習会
- Place of Presentation
  北トピア、東京(招待講演)
- Year and Date
  2006-10-24
- Data Source
  KAKENHI-PROJECT-18350094
[Presentation] Quantum Chemical Molecular Dynamics and Kinetic Monte Carlo Approach to the Design of MgO Protecting Layer in Plasma Display Panel2006
- Author(s)
  Momoji Kubo
- Organizer
  The 6th International Meeting on Information Display and the 5th International Display Manufacturing Conference
- Place of Presentation
  Daegu,Korea(招待講演)
- Data Source
  KAKENHI-PROJECT-18350094
[Presentation] Tribochemical Reaction Dynamics by First-Principles and Tight-Binding Quantum Chemical Molecular Dynamics Methods
- Author(s)
  Momoji Kubo
- Organizer
  13th International Ceramics Congress & 6th Forum on New Materials
- Place of Presentation
  Montecatini Terme, Italy
- Year and Date
  2014-06-08 – 2014-06-10
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] Multi-Physics Simulations on Growth and Tribology Processes of Diamond-Like Carbon Thin Films
- Author(s)
  Momoji Kubo
- Organizer
  ISPLASMA 2015
- Place of Presentation
  Nagoya, Japan
- Year and Date
  2015-03-26 – 2015-03-31
- Invited
- Data Source
  KAKENHI-PROJECT-26249011
[Presentation] トライボロジーシミュレーション
- Author(s)
  久保百司
- Organizer
  グリーントライボ・ネットワーク夏の学校2014
- Place of Presentation
  東北大学電気通信研究所ナノスピン棟
- Year and Date
  2014-07-14 – 2014-07-15
- Invited
- Data Source
  KAKENHI-PROJECT-26249011

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# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Kubo Momoji 久保 百司

KUBO Momoji 久保 百司

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Development of a 100-Million-Atoms Tribochemical Reaction Simulator and Establishment of a Theoretical Basis for Realizing Ultra-low WearPrincipal Investigator

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Establishment of Theoretical Basis on Running-in and Seizure Based on Quantum Chemistry for Super-low Friction Technology DevelopmentPrincipal Investigator

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第一原理分子動力学法に基づくトライボ反応シミュレータの開発と自動車用潤滑剤の設計Principal Investigator

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電子レベルから2次粒子構造までのマルチスケール触媒シンタリングシミュレータの開発Principal Investigator

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Development of Multi-Physics Quantum Chemical Molecular Dynamics Method for the Theoretical Design of Plasma DisplayPrincipal Investigator

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Kubo Momoji 久保百司

KUBO Momoji 久保百司