Takaba Hiromitsu 高羽洋充

… Alternative Names

TAKABA Hiromitsu 高羽洋充

高羽洋允タカバヒロミツ

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Researcher Number	80302769
Affiliation (Current)	2025: 工学院大学, 先進工学部, 教授
Affiliation (based on the past Project Information) *help	2019 – 2023: 工学院大学, 先進工学部, 教授 2016: 工学院大学, 先進工学部, 教授 2015: 工学院大学, 公私立大学の部局等, 教授 2014: 東北大学, 大学院工学研究科, 准教授 2013 – 2014: 工学院大学, 工学部, 教授 … More 2012: 東北大学, 大学院工学研究科, 准教授 2012: 東北大学, 工学(系)研究科(研究院), 准教授 2007 – 2012: Tohoku University, Graduate School of Engineering, Associate Professor 2008: Tohoku University, 大学院工学研究科, 准教授 2006: 東北大学, 大学院・工学研究科, 助教授 2006: 東北大学, 大学院工学研究科, 助教授 1999 – 2003: 東京大学, 大学院・工学系研究科, 助手 2001: 東大, 工学(系)研究科(研究院), 助手 Less
Review Section/Research Field	Principal Investigator Properties in chemical engineering process/Transfer operation/Unit operation / 化学工学一般 / Basic Section 27010:Transport phenomena and unit operations-related / Basic Section 26040:Structural materials and functional materials-related / Structural/Functional materials Except Principal Investigator 反応・分離工学 / Design engineering/Machine functional elements/Tribology / Inorganic industrial materials / Material processing/treatments / Electron device/Electronic equipment
Keywords	Principal Investigator 分離膜 / 計算化学 / ゼオライト膜 / ガス分離 / 劣化 / 第一原理計算 / 膜分離 / 分子動力学法 / 無機膜 / 高分子膜 … More / データベース / 二酸化炭素 / Variational Autoencoder / 潜在表現 / 生成アルゴリズム / 機械学習 / フッ化物 / マテリアルスインフォマティクス / ペロブスカイト型太陽電池 / フッ素系化合物 / 安定構造 / 耐久性 / 水分子 / バンドギャップ / フッ素系 / ペロブスカイト太陽電池 / 部分置換ペロブスカイト / 耐湿性 / 密度汎関数法 / フッ素化合物 / フッ化物系 / 太陽電池 / ハライドペロブスカイト / material design / gas separation / silica membrane / zeolite membrane / molecular simulation / inorganic membrane / 透過係数 / モンテカルロ法 / 透過理論 / 材料設計 / シリカ膜 / 分子シミュレーション / カーボン / 細孔閉塞 / 格子ボルツマン法 / カソード空気極 / 充放電曲線シミュレータ / マルチスケール / リチウム空気電池 / シミュレーション / 電極 / リチウム / マルチスケールシミュレーション / 分極曲線 / 金属空気電池 / ミクロ細孔 / 陽電子寿命減衰曲線 / 経路積分モンテカルロ法 / 電子密度分布 / ポジトロン・ポジトロニウム / 陽電子消滅法 / 膜分離法の階層化 / 分離係数 / 平均場ポテンシャル / グランドカノニカル分子動力学法 / マツリスケールモデリング / 膜 / 膜設計 / シミュレーション工学 / 化学工学 / 反応 / キシレン合成 / 非平衡系メソスコピック・モンテカルロ法 / 触媒膜 / 計算機化学 … More Except Principal Investigator Plasma-graft polymerization / プラズマグラフト重合 / Stimuli responsive polymer / 環境応答性ポリマー / 超分子 / クラウンエーテル / ホストゲスト / 環境応答ゲル / 生体類似膜 / 化学反応 / トライボケミカル反応 / 超高速化量子分子動力学法 / 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 / 高速化量子分子動力学法 / 機械的摩擦 / 潤滑油添加剤 / シミュレータ開発 / ハイブリッド量子分子動力学法 / Supennolecules / Chemical signal / Tissue engineering / 新陳代謝 / 細胞培養 / イオンシグナル / ティッシュエンジニアリング / Supermolecules / Chiral separation / Membrane separation / 光学分割 / 分離膜 / Gate membranes / Stimuli responsive materials / Crown ether / Host-guest / Stimuli responsive gel / Water treatment / Bio mimetic membranes / ゲート膜 / 環境応答材料 / 排水処理 / ガラス / 多孔質 / XANES / Cu / ポーラスガラス / XAFS / 量子化学 / 蛍光 / シリカ / メソポーラス / 原子・分子物理学 / 構造・機能材料 / シミュレーション工学 / 配線寿命予測 / 実物モデル化 / 配線寿命 / 電子wind force / エレクトロマイグレーション / 摩耗防止剤 / 潤滑添加剤 / 数値流体力学 / 有限要素法 / 古典分子動力学法 / Tight-Binding法 / 量子化学計算 / 分子シミュレーション / トライボロジー / 粒子間相互作用ポテンシャル精密決定手法 / 反応表現付連続体力学 / 時間発展加速化理論 / 超高速化 / 設計工学 / 量子分子動力学法 / 摩擦 / シミュレータ / トライボケミカル / 量子分子動力学 / マルチレベル Less

Development of reverse design system for optimal membrane structure by JT-VAE machine learningPrincipal Investigator
- Principal Investigator
  
  高羽洋充
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 27010:Transport phenomena and unit operations-related
- Research Institution
  Kogakuin University
Theoretical design of optimum composition of fluorine-based composite perovskite solar cells with moisture resistancePrincipal Investigator
- Principal Investigator
  
  Takaba Hiromitsu
- Project Period (FY)
  2019 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 26040:Structural materials and functional materials-related
- Research Institution
  Kogakuin University
Creation of new function of optically active ions having specific oxygen coordination in silica glass
- Principal Investigator
  
  AKAI TOMOKO
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Inorganic industrial materials
- Research Institution
  National Institute of Advanced Industrial Science and Technology
Establishment of Modeling Technique for Optimization of Li-air BatteryPrincipal Investigator
- Principal Investigator
  
  Takaba Hiromitsu
- Project Period (FY)
  2013 – 2015
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Structural/Functional materials
- Research Institution
  Kogakuin University
Fundamental Study for Theoretical Design of Rare-Earth Containing Materials by Ultra-Accelerated Quantum Chemical Molecular Dynamics Method
- Principal Investigator
  
  HATAKEYAMA Nozomu
- Project Period (FY)
  2012 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Material processing/treatments
- Research Institution
  Tohoku University
Development of Practical Simulator of Interconnect Lifetime Based on Quantum Theory
- Principal Investigator
  
  TSUBOI Hideyuki
- Project Period (FY)
  2009 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Electron device/Electronic equipment
- Research Institution
  Tohoku University
大規模量子計算に基づく電子消滅法シミュレータの開発とナノ細孔構造解析への応用Principal Investigator
- Principal Investigator
  
  高羽洋充
- Project Period (FY)
  2009 – 2010
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Properties in chemical engineering process/Transfer operation/Unit operation
- Research Institution
  Tohoku University
Development of Multi-level Tribology Simulator based on Ultra-accelerated Quantum Chemical Molecular Dynamics
- Principal Investigator
  
  MIYAMOTO Akira
- Project Period (FY)
  2008 – 2012
- Research Category
  
  Grant-in-Aid for Scientific Research (S)
- Research Field
  
  Design engineering/Machine functional elements/Tribology
- Research Institution
  Tohoku University
Establishment and Application of Modeling Chemistry in Membrane Technology: Novel Design Method for Membrane Separation SystemsPrincipal Investigator
- Principal Investigator
  
  TAKABA Hiromitsu
- Project Period (FY)
  2006 – 2008
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Properties in chemical engineering process/Transfer operation/Unit operation
- 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
Novel regenerable cell culture system using signal responsive membrane substrate
- Principal Investigator
  
  YAMAGUCHI Takeo
- Project Period (FY)
  2001 – 2003
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  反応・分離工学
- Research Institution
  The University of Tokyo
計算機化学を利用した高選択性ゼオライト触媒膜の理論設計と開発Principal Investigator
- Principal Investigator
  
  高羽洋充
- Project Period (FY)
  2000 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  化学工学一般
- Research Institution
  The University of Tokyo
Development of stimuli responsive molecular recognition materials for chiral separation
- Principal Investigator
  
  NAKAO Shin-ichi
- Project Period (FY)
  2000 – 2001
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  反応・分離工学
- Research Institution
  The University of Tokyo
Study on Design Methodology for Inorganic Separation Membranes by Newly Developed Molecular Simulation MethodPrincipal Investigator
- 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
Membrane design for removal of environmental pollutant from waste water by plasma graft
- Principal Investigator
  
  YAMAGUCHI Takao
- Project Period (FY)
  1999 – 2000
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  反応・分離工学
- Research Institution
  The University of Tokyo

[Book] 次世代蓄電池の【最新】材料技術と性能評価2013
- Author(s)
  高羽洋充、山本　航　他
- Total Pages
  6
- Publisher
  情報技術協会
- Data Source
  KAKENHI-PROJECT-25420749
[Book] 革新的な多孔質材料(マルチレベル計算化学)15章2010
- Author(s)
  高羽洋充・宮本明
- Publisher
  化学同人
- Data Source
  KAKENHI-PROJECT-21656197
[Book] 革新的な多孔質材料2010
- Author(s)
  高羽洋充、宮本明
- Publisher
  化学同人
- Data Source
  KAKENHI-PROJECT-20226005
[Book] 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(分担執筆)2008
- Author(s)
  高羽洋充
- Publisher
  シーエムシー出版
- Data Source
  KAKENHI-PROJECT-18686061
[Book] 表面分析技術選書計算シミュレーションと分析データ解析(分担執筆)2007
- Author(s)
  高羽洋充
- Publisher
  丸善株式会社
- Data Source
  KAKENHI-PROJECT-18686061
[Book] 表面分析技術選書計算シミュレーションと分析データ解析2007
- Author(s)
  高羽洋充, (分担執筆)他19名
- Publisher
  丸善株式会社
- Data Source
  KAKENHI-PROJECT-18686061
[Book] 化学工学における分子シミュレーションの活用-基礎と応用-第4章「膜分離への応用」, 第5章「触媒工学への応用」, 分離技術シリーズ82006
- Author(s)
  高羽洋充, (分担執筆)他13名
- Publisher
  分離技術会
- Data Source
  KAKENHI-PROJECT-18686061
[Book] 膜学実験法人口膜編2006
- Author(s)
  高羽洋充, (分担執筆)他26名
- Publisher
  CD出版、日本膜学会編
- Data Source
  KAKENHI-PROJECT-18686061
[Book] 化学工学における分子シミュレーションの活用 -基礎と応用-(分担執筆、4章、5章)2006
- Author(s)
  高羽洋充
- Total Pages
  138
- Publisher
  分離技術会
- Data Source
  KAKENHI-PROJECT-18686061
[Journal Article] 混合マトリックス膜の有機/無機界面構造と分離メカニズム：非平衡分子動力学法による検討2023
- Author(s)
  廣澤史也、宮川雅矢、高羽洋充
- Journal Title
  
  Membrane
  
  Volume: 48 Pages: 132-137
- Data Source
  KAKENHI-PROJECT-22K04808
[Journal Article] 機械学習によるCO2分離膜設計の現状と展望2023
- Author(s)
  高羽洋充
- Journal Title
  
  分離技術誌
  
  Volume: 53 Pages: 360-365
- Data Source
  KAKENHI-PROJECT-22K04808
[Journal Article] CHA型ゼオライト膜におけるCO2分離現象の分子シミュレーションによる可視化2023
- Author(s)
  高羽洋充、廣澤史也、宮川雅矢
- Journal Title
  
  クリーンテクノロジー
  
  Volume: 33 Pages: 9-13
- Data Source
  KAKENHI-PROJECT-22K04808
[Journal Article] マテリアルズインフォマティクスのための計算化学シミュレーション技術2020
- Author(s)
  廣澤史也、樋口隼人、高羽洋充
- Journal Title
  
  機能材料
  
  Volume: 10 Pages: 17-26
- Data Source
  KAKENHI-PROJECT-19K05063
[Journal Article] コンピュータ化学の膜分離への応用2020
- Author(s)
  樋口隼人、高羽洋充
- Journal Title
  
  分離技術
  
  Volume: 50 Pages: 30-36
- Data Source
  KAKENHI-PROJECT-19K05063
[Journal Article] Theoretical Assessment of Emission Efficiency of Eu2+-doped Phosphors Based on Alkaline-Earth Network2013
- Author(s)
  Hiroaki Onuma, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto
- Journal Title
  
  Journal of Ceramic Processing Research
  
  Volume: 14
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24360300
[Journal Article] Friction Reduction Mechanism of Hydrogen-and Fluorine-Terminated Diamond-Like Carbon Films Investigated by Molecular Dynamics and Quantum Chemical Calculation2012
- Author(s)
  Shandan Bai, Tasuku Onodera, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Momoji Kubo, and Akira Miyamoto
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 116 Issue: 23 Pages: 12559-12565
- DOI
  10.1021/jp300937n
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005, KAKENHI-PROJECT-24360300
[Journal Article] CO Oxidation and NO Reduction on MgO(100) Supported Pd Cluster : A Quantum Chemical Molecular Dynamics Study2011
- Author(s)
  Farouq Ahmed, et al
- Journal Title
  
  Journal of Physical Chemistry C
  
  Volume: 115 Issue: 49 Pages: 24123-24132
- DOI
  10.1021/jp204348e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005, KAKENHI-PROJECT-21360158
[Journal Article] Comparison of Reactivity on Step and Terrace Sites of Pd (332) Surface for the Dissociative Adsorption of Hydrogen : A Quantum Chemical Molecular Dynamics Study2011
- Author(s)
  Farouq Ahmed, et al
- Journal Title
  
  Applied Surface Science
  
  Volume: 257 Pages: 10503-10513
- DOI
  10.1016/j.apsusc.2011.07.028
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005, KAKENHI-PROJECT-21360158
[Journal Article] Computational Study on Carrier Injection in Ca/Poly (9,9'-dioctylfluorene) Interface by Using Quantum Chemistry and Monte Carlo Methods2011
- Author(s)
  Itaru Yamashita, et al
- Journal Title
  
  Japanese Journal of the Applied Physics
  
  Volume: 50 Issue: 4S Pages: 04DK02-04DK02
- DOI
  10.1143/jjap.50.04dk02
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005, KAKENHI-PROJECT-21360158
[Journal Article] Theoretical Study on Effect of SiC Crystal Structure on Carrier Transfer in Quantum Dot Solar Cells2011
- Author(s)
  Sho Hirose, et al
- Journal Title
  
  Japanese Journal of the Applied Physics
  
  Volume: 50 Issue: 4S Pages: 04DP05-04DP05
- DOI
  10.1143/jjap.50.04dp05
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005, KAKENHI-PROJECT-21360158
[Journal Article] Surface Reduction Processes of Cerium Oxide Surfaces by H_2 Using Ultra Accelerated Quantum Chemical Molecular Dynamic Study2011
- Author(s)
  Md.Khorshed Alam, et al
- Journal Title
  
  Catalysis Today
  
  Volume: 164 Issue: 1 Pages: 9-15
- DOI
  10.1016/j.cattod.2010.10.011
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005, KAKENHI-PROJECT-21360158
[Journal Article] Multiscale Simulation of Dye-Sensitized Solar Cells Considering Schottky Barrier Effect at Photoelectrode2011
- Author(s)
  Mari Onodera, et al
- Journal Title
  
  Japanese Journal of the Applied Physics
  
  Volume: 50 Issue: 4S Pages: 04DP06-04DP06
- DOI
  10.1143/jjap.50.04dp06
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005, KAKENHI-PROJECT-21360158
[Journal Article] Modeling of Hydrogen Vacancy for Dissociative Adsorption of H_2 on Pd(111) Surface by A Quantum Chemical Molecular Dynamics2011
- Author(s)
  Farouq Ahmed, et al
- Journal Title
  
  Catalysis Today
  
  Volume: 164 Issue: 1 Pages: 16-22
- DOI
  10.1016/j.cattod.2010.10.009
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005, KAKENHI-PROJECT-21360158
[Journal Article] Development of Computational Method for Analysis of Carrier Transfer in Light-Emitting Polymers2010
- Author(s)
  Itaru Yamashita, Kazumi Serizawa, Hiroaki Onuma, Ai Suzuki, Ryuji Miura, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Mark C. Williams, Akira Miyamoto
- Journal Title
  
  Japanese Journal of the Applied Physics
  
  Volume: 49 Issue: 4S Pages: 04DK13-04DK13
- DOI
  10.1143/jjap.49.04dk13
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21360158
[Journal Article] A Computational Chemistry Study on Friction of h-MoS2. Part II. Friction Anisotropy2010
- Author(s)
  Tasuku Onodera, Yusuke Morita, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Fabrice Dassenoy, Clotilde Minfray, Lucile Joly-Pottuz, Momoji Kubo, Jean-Michel Martin, and Akira Miyamoto
- Journal Title
  
  J. Phys. Chem. B
  
  Volume: 114 Issue: 48 Pages: 15832-15838
- DOI
  10.1021/jp1064775
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Development of a Quantum Chemical Molecular Dynamics Tribochemical Simulator and Its Application to Tribochemical Reaction Dynamics of Lubricant Additives2010
- Author(s)
  Tasuku Onodera, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, and Akira Miyamoto
- Journal Title
  
  Modelling Simul. Mater. Sci. Eng.
  
  Volume: 18 Issue: 3 Pages: 34009-34009
- DOI
  10.1088/0965-0393/18/3/034009
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Tribochemical Reaction Dynamics of Molybdenum Dithiocarbamate on the Nascent Iron Surface: A Hybrid Quantum Chemical/Classical Molecular Dynamics Study2010
- Author(s)
  Tasuku Onodera, Yusuke Morita, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, and Akira Miyamoto
- Journal Title
  
  J. Nanosci. Nanotechnol.
  
  Volume: 10 Issue: 4 Pages: 2495-2502
- DOI
  10.1166/jnn.2010.1399
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Development of a quantum chemical molecular dynamics tribochemical simulator and its application to tribochemical reaction dynamics of lubricant additives2010
- Author(s)
  Tasuku Onodera, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
- Journal Title
  
  Modelling and Simulation in Materials Science and Engineering 18
  
  Pages: 34009-34009
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Tribochemical Reaction Dynamics of Molybdenum Dithiocarbamate on the Nascent Iron Surface : A Hybrid Quantum Chemical/Classical Molecular Dynamics Study2010
- Author(s)
  Onodera T, Morita Y, Suzuki A, Sahnoun R, Koyama M, Tsuboi H, Hatakeyama N, Endou A, Takaba H, Del Carpio CA, Deka RC, Kubo M, Miyamoto A
- Journal Title
  
  J Nanosci Nanotechnol 10
  
  Pages: 2495-502
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Influences of Film Deposition Condition on Friction of Diamond-Like Carbon Film: A Theoretical Investigation2010
- Author(s)
  Tasuku Onodera, Takanori Kuriaki, Shandan Bai, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, and Akira Miyamoto
- Journal Title
  
  Tribology Online
  
  Volume: 5 Issue: 3 Pages: 173-180
- DOI
  10.2474/trol.5.173
- NAID
  130000340577
- ISSN
  1881-218X, 1881-2198
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Modeling of Dye-Sensitized Solar Cells Based on TiO2 Electrode Structure Model2010
- Author(s)
  Mari Onodera, Kei Ogiya, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto
- Journal Title
  
  Japanese Journal of the Applied Physics
  
  Volume: 49 Issue: 4S Pages: 04DP10-04DP10
- DOI
  10.1143/jjap.49.04dp10
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21360158
[Journal Article] A computational chemistry study on friction of h-MoS2.Part II.Friction anisotropy2010
- Author(s)
  Tasuku Onodera, Yusuke Morita, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Fabrice Dassenoy, Clotilde Minfray, Lucile Joly-Pottuz, Momoji Kubo, Jean-Michel Martin, Akira Miyamoto
- Journal Title
  
  J.Phys.Chem.B 114
  
  Pages: 15832-15838
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Computational Evaluation of Electrical Conductivity on SiC and The Influence of Crystal Defects2009
- Author(s)
  Hideyuki Tsuboi, Megumi Kabasawa, Seika Ouchi, Miki Sato, Riadh Sahnoun, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Yasuo Kitou, Emi Makino, Norikazu Hosokawa, Jun Hasegawa, Shoichi Onda, Akira Miyamoto
- Journal Title
  
  Materials Science Forum
  
  Volume: 600-603 Pages: 497-500
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21360158
[Journal Article] Influence of Nanometer Scale Film Structure of ZDDP Tribofilm on Its Mechanical Properties: A Computational Chemistry Study2009
- Author(s)
  Tasuku Onodera, Yusuke Morita, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, and Akira Miyamoto
- Journal Title
  
  Appl. Surf. Sci.
  
  Volume: 256 Issue: 4 Pages: 976-979
- DOI
  10.1016/j.apsusc.2009.04.205
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Development of a Multi-Scale Electromigration Simulator Based on a Combination of Ultra Accelerated Quantum Chemical Molecular Dynamics and Kinetic Monte Carlo Methods. Application to Cu Interconnects Lifetime Simulation2009
- Author(s)
  Hideyuki Tsuboi, Asami Kato, Hiromi Sato, Humie Hasekura, Saori Oda, Hiroshi Setogawa, Chie Abe, Arnubhiram Chutia, Chen Lv, Zigang Zhu, Ryuji Miura, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, Akira Miyamoto
- Journal Title
  
  apanese Journal of the Applied Physics
  
  Volume: 48 Issue: 4S Pages: 04C020-04C020
- DOI
  10.1143/jjap.48.04c020
- NAID
  210000066531
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21360158
[Journal Article] A Computational Chemistry Study on Friction of h-MoS2 Part I: Mechanism of Single Sheet Lubrication2009
- Author(s)
  Tasuku Onodera, Yusuke Morita, Ai Suzuki, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Fabrice Dassenoy, Clotilde Minfray, Lucile Joly-Pottuz, Jean-Michel Martin, and Akira Miyamoto
- Journal Title
  
  J. Phys. Chem. B
  
  Volume: 113 Issue: 52 Pages: 16526-16536
- DOI
  10.1021/jp9069866
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Influence of Nanometer Scale Film Structure of ZDDP Tribofilm on Its Mechanical Properties : A Computational Chemistry Study2009
- Author(s)
  Tasuku Onodera, Yusuke Morita, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A.Del Carpio, Ramesh C.Deka, Momoji Kubo Akira Miyamoto
- Journal Title
  
  Applied Surface Science 256
  
  Pages: 976-979
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] A Computational Chemistry Study on Friction of h-MoS2 Part I : Mechanism of Single Sheet Lubrication2009
- Author(s)
  Tasuku Onodera, Yusuke Morita, Ai Suzuki, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Fabrice Dassenoy, Clotilde Minfray, Lucile Joly-Pottuz, Jean-Michel Martin, Akira Miyamoto
- Journal Title
  
  The Journal of Physical Chemistry B 113
  
  Pages: 16526-16536
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] An Electrical Conductivity Prediction Simulator Based on TB-QCMD and KMC. System Development and Applications2009
- Author(s)
  Hideyuki Tsuboi, Arnabhiram Chutia, Chen Lv, Zigang Zhu, Hiroaki Onuma, Ryuji Miura, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, Akira Miyamoto
- Journal Title
  
  ournal of Molecular Structure
  
  Volume: 903 Issue: 1-3 Pages: 11-22
- DOI
  10.1016/j.theochem.2008.11.040
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-21360158
[Journal Article] 計算化学の応用展開2009
- Author(s)
  高羽洋充, ら
- Journal Title
  
  膜(MEMBRANE) 34
  
  Pages: 212-219
- NAID
  10026336310
- Data Source
  KAKENHI-PROJECT-21656197
[Journal Article] A Theoretical Investigation on the Dynamic Behavior of Molybdenum Dithiocarbamate Molecule in the Engine Oil Phase2008
- Author(s)
  Tasuku Onodera, Yusuke Morita, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Momoji Kubo, Takatoshi Shin-yoshi, Noriaki Nishino, Atsushi Suzuki, and Akira Miyamoto
- Journal Title
  
  Tribology Online
  
  Volume: 3 Issue: 2 Pages: 80-85
- DOI
  10.2474/trol.3.80
- NAID
  130000067118
- ISSN
  1881-218X, 1881-2198
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] A Theoretical Study of Dynamic Behavior of Diphenyldisulphide Molecule on Fe Surface: Novel Ultra-Accelerated Quantum Chemical Molecular Dynamics Approach2008
- Author(s)
  Akira Endou, Tasuku Onodera, Sayaka Nara, Ai Suzuki, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Carlos A. Del Carpio, Ramesh C. Deka, Momoji Kubo, and Akira Miyamoto
- Journal Title
  
  Tribology Online
  
  Volume: 3 Issue: 5 Pages: 280-284
- DOI
  10.2474/trol.3.280
- NAID
  130000067624
- ISSN
  1881-218X, 1881-2198
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Accelerated computation of extremely 'slow' molecular diffusivity in nanopores2008
- Author(s)
  Ryo Nagumo, Hiromitsu Takaba, Shin-ichi Nakao
- Journal Title
  
  Chem. Phys. Lett 458
  
  Pages: 281-284
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686061
[Journal Article] Development of the Reaction Time Accelerating Molecular Dynamics Method for Simulation of Chemical Reaction2008
- Author(s)
  H. Takaba, et.al.
- Journal Title
  
  Applied Surface Science 254
  
  Pages: 7955-7958
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Development of the Reaction Time Accelerating Molecular Dynamics Method for Simulation of Chemical Reaction2008
- Author(s)
  H. Takaba, et.al.
- Journal Title
  
  Appl. Surf Sci 254
  
  Pages: 7955-7958
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686061
[Journal Article] Experimental and Molecular Dynamics Simulations of Tribochemical Reactions with ZDDP: Zinc Phosphate-Iron Oxide Reaction2008
- Author(s)
  Clotilde Minfray, Tasuku Onodera, Thierry Le Mogne, Sayaka Nara, Shuko Takahashi, Hideyuki Tsuboi, Michihisa Koyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Jean-Michel Martin, and Akira Miyamoto
- Journal Title
  
  Tribol. Trans.
  
  Volume: 51 Issue: 5 Pages: 589-601
- DOI
  10.1080/10402000802011737
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Development of the Reaction Time Accelerating Molecular Dynamics Method for Simulation of Chemical Reaction2008
- Author(s)
  Hiromitsu Takaba, et al. (他12名)
- Journal Title
  
  Appl. Surf. Sci 254
  
  Pages: 7955-7958
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686061
[Journal Article] A Theoretical Investigation on the Abrasive Wear Prevention Mechanism of ZDDP and ZP Tribofilms2008
- Author(s)
  Tasuku Onodera, Yusuke Morita, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Ramesh C. Deka, Clotilde Minfray, Jean-Michel Martin, and Akira Miyamoto
- Journal Title
  
  Appl. Surf. Sci.
  
  Volume: 254 Issue: 23 Pages: 7976-7979
- DOI
  10.1016/j.apsusc.2008.04.057
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Development of a New Molecular Dynamics Method for Tribochemical Reaction and Its Application to Formation Dynamics of MoS2 Tribofilm2008
- Author(s)
  Yusuke Morita, Tasuku Onodera, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Takatoshi Shin-yoshi, Noriaki Nishino, Atsushi Suzuki, and Akira Miyamoto
- Journal Title
  
  Appl. Surf. Sci.
  
  Volume: 254 Issue: 23 Pages: 7618-7621
- DOI
  10.1016/j.apsusc.2008.01.123
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Effect of Surface Termination on Super-Low Friction of Diamond Film: A Theoretical Study2008
- Author(s)
  Yusuke Morita, Toshiaki Shibata, Tasuku Onodera, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, and Akira Miyamoto
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 47 Issue: 4S Pages: 3032-3035
- DOI
  10.1143/jjap.47.3032
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20226005
[Journal Article] Molecular Simulation of Pressure-driven Fluid Flow in Nanoporous Membranes2007
- Author(s)
  H. Takaba, et. al.
- Journal Title
  
  J. Chem. Phys. 127
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686061
[Journal Article] Molecular Simulation of Pressure-driven Fluid Flow in Nanoporous Membranes2007
- Author(s)
  Hiromitsu Takaba, Yasushi Onumata and Shin-ichi Nakao
- Journal Title
  
  J. Chem. Phys 127
  
  Pages: 54073-54073
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686061
[Journal Article] A Combinatorial Dynamic Monte Carlo Approach to Finding a Suitable Zeolite Membrane Structure for CO2/N2 Separation2007
- Author(s)
  Yudai Ohta, Hiromitsu Takaba and Shin-ichi Nakao
- Journal Title
  
  Microporous and Mesoporous Materials 101
  
  Pages: 319-323
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686061
[Journal Article] A Methodology to Estimate Transport Diffusivities in 'Single-file' Permeation through Zeolite Membranes Using Molecular Simulations2007
- Author(s)
  Ryo Nagumo, Hiromitsu Takaba, and Shin-ichi Nakao
- Journal Title
  
  J. Chem. Eng. Jpn. 40
  
  Pages: 1045-1055
- NAID
  130000019081
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686061
[Journal Article] 液相系膜分離における計算化学の応用展開2007
- Author(s)
  高羽洋充, 坪井秀行, 古山通久, 畠山望, 遠藤明, 久保百司, Carlos Del Carpio, 宮本明
- Journal Title
  
  膜 32
  
  Pages: 80-88
- NAID
  10018865788
- Data Source
  KAKENHI-PROJECT-18686061
[Journal Article] Modeling of Methane Permeation through a Defect Region in Zeolite Membranes2006
- Author(s)
  Hiromitsu Takaba, Atsushi Yamamoto and Shin-ichi Nakao
- Journal Title
  
  Desalination 192
  
  Pages: 82-90
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686061
[Journal Article] Modeling of Methane Permeation through a Defect Region in Zeolite Membranes2006
- Author(s)
  H.Takaba et al.
- Journal Title
  
  Desalination 192・1-3
  
  Pages: 82-90
- Data Source
  KAKENHI-PROJECT-18686061
[Journal Article] Development of Pressure Controlled Grand Canonical Ensemble Monte Carlo for Efficient Estimation of Solubility in Polymer2006
- Author(s)
  Hiromitsu Takaba, Hideki Hayashi and Shin-ichi Nakao
- Journal Title
  
  Kagaku Kogaku Ronbunsyu 32
  
  Pages: 31-38
- NAID
  130000018583
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18686061
[Journal Article] Development of Pressure Controlled Grand Canonical Ensemble Monte Carlo for Efficient Estimation of Solubility in Polymer2006
- Author(s)
  H.Takaba et al.
- Journal Title
  
  Kagaku Kogaku Ronbunsyu 32・1
  
  Pages: 31-38
- NAID
  130000018583
- Data Source
  KAKENHI-PROJECT-18686061
[Patent] 分離膜のシミュレーション方法、シミュレーション装置、プログラムおよび該プログラムを記録したコンピュータ読み取り可能な記憶媒体ならびに分離膜2006
- Inventor(s)
  高羽洋充, 中尾真一, 余語克則, 山田興一
- Industrial Property Rights Holder
  高羽洋充, 中尾真一, 余語克則, 山田興一
- Patent Publication Number
  2007-319808
- Filing Date
  2006-06-01
- Data Source
  KAKENHI-PROJECT-18686061
[Presentation] 深層生成モデルを用いた機能性分離材料の逆設計2023
- Author(s)
  松本拓海、宮川雅矢、高羽洋充
- Organizer
  化学工学会第88年会
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] 機械学習と分子シミュレーションを併用したCO2高選択性多孔質膜の最適構造探索2023
- Author(s)
  高羽　洋充
- Organizer
  化学工学会第54回秋季大会
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] Advancing Design of Water Treatment Membranes through Molecular Simulation and Machine learning2023
- Author(s)
  Hiromitsu Takaba
- Organizer
  Physics of Membrane Processes PMP 6th
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] Advancing Water Treatment Membranes through Molecular Simulation and Machine Learning2023
- Author(s)
  Hiromitsu Takaba
- Organizer
  International Conference on Sustainable Technologies for Water and Wastewater Treatment(Technoscape2023)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] 敵対的生成ネットワークによる高分子構造生成と分離膜設計の応用2023
- Author(s)
  西尾健太郎、正部家隼人、松本拓海、宮川雅矢、高羽洋充
- Organizer
  化学工学会第88年会
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] Molecular modelling of transport phenomena on membranes2023
- Author(s)
  Hiromitsu Takaba
- Organizer
  INDO-JAPAN Training Program on Research Collaboration
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] Molecular dynamics study on water distribution and mobility in hydrated RO membranes2023
- Author(s)
  Hiromitsu Takaba
- Organizer
  13th International Congress on Membranes and Membrane Processes
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] Inverse Design of High-Performance Membranes using Deep Learning Generative Model2023
- Author(s)
  Hiromitsu Takaba
- Organizer
  13th International Congress on Membranes and Membrane Processes
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] JT-VAE機械学習を利用したCO2分離を目的とした高分子膜構造の逆設計2022
- Author(s)
  松本拓海、宮川雅矢、高羽洋充
- Organizer
  日本膜学会第44年会
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] 高分子構造からの耐ファウリング性に影響を及ぼす中間水量の推算：機械学習による検討2022
- Author(s)
  須田あかね、松本拓海、正部家隼人、廣澤史也、宮川雅矢、高羽洋充
- Organizer
  膜シンポジウム2022
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] ベイズ最適化とJunction Tree VAEによる高効率CO2分離用2022
- Author(s)
  松本拓海、宮川雅矢、高羽洋充
- Organizer
  膜シンポジウム2022
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] Junction Tree VAE機械学習によるガス分離を目的とした高分子膜構造の逆設計2022
- Author(s)
  松本拓海、宮川雅矢、高羽洋充
- Organizer
  化学工学会第53回秋季大会
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] Inverse Design of Polymer Membrane Structure for CO2 Separation using Junction Tree Variational Autoencoder2022
- Author(s)
  Takumi Matsumoto, Masaya Miyagawa, Hiromitsu Takaba
- Organizer
  International Conference on Materials Science and Engineering(Materials Oceania)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] Junction Tree VAEによる各種ガス分離用の高効率高分子膜構造の逆設計2022
- Author(s)
  松本拓海、宮川雅矢、高羽洋充
- Organizer
  第45回ケモインフォマティクス討論会
- Data Source
  KAKENHI-PROJECT-22K04808
[Presentation] Junction tree-VAEを用いた目的物性をもつ材料の逆計算法の提案2021
- Author(s)
  松本拓海、宮川雅矢、高羽洋充
- Organizer
  第44回ケモインフォマティクス討論会
- Data Source
  KAKENHI-PROJECT-19K05063
[Presentation] JT-VAE法機械学習による目的物性をもつ化合物の逆設計2021
- Author(s)
  松本拓海、宮川雅矢、高羽洋充
- Organizer
  分離技術会年会2021
- Data Source
  KAKENHI-PROJECT-19K05063
[Presentation] Estimation of Emission Properties of 2D Halide Perovskites Using DFT and Machine Learning2021
- Author(s)
  Hiromitsu Takaba, Kouta Miura, Kouga Suzuki, Masaya Miyagawa
- Organizer
  2021 MRS Fall Meeting & Exhibit
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05063
[Presentation] Junction Tree VAE 法による膜物性の逆設計2021
- Author(s)
  松本拓海、廣澤史也、宮川雅矢、高羽洋充
- Organizer
  膜シンポジウム2021
- Data Source
  KAKENHI-PROJECT-19K05063
[Presentation] DFT計算をベースとしたハライドペロブスカイト量子ドット発光波長の予測2019
- Author(s)
  大野貴也、高羽洋充
- Organizer
  化学工学会第85年会
- Data Source
  KAKENHI-PROJECT-19K05063
[Presentation] Modeling of Emission Properties of Structural Distortion Induced Substituted Halide Perovskites2019
- Author(s)
  Hiromitsu Takaba
- Organizer
  The 13th Pacific Rim Conference of Ceramic Societies
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05063
[Presentation] Molecular modeling of stability and emission properties of halide perovskites2019
- Author(s)
  Hiromitsu Takaba
- Organizer
  Materials Oceania 2019
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19K05063
[Presentation] 高効率な発光を示すCu-SiO2系ガラスのXAFSによる構造解析2017
- Author(s)
  赤井智子、山下勝、武藤亮太、高羽洋充
- Organizer
  第64回応用物理学会春季学術講演会
- Place of Presentation
  パシフィコ横浜、横浜
- Year and Date
  2017-03-15
- Data Source
  KAKENHI-PROJECT-26620200
[Presentation] リチウム空気電池における充電反応過程のモデリング2016
- Author(s)
  添野壮大、高羽洋充
- Organizer
  化学工学会第81年会
- Place of Presentation
  関西大学
- Year and Date
  2016-03-14
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] Structure of Cu doped high-silica glass exhibiting intense luminescence2016
- Author(s)
  Tomoko Akai, Masaru Yamashita, Ryota Muto, Hiromitsu Takaba
- Organizer
  CerSJ-GOMD Joint Symposium on Glass Science and Technologies 
- Place of Presentation
  京都、京都大学
- Year and Date
  2016-11-14
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26620200
[Presentation] リチウム空気電池材料の理論設計に関するシミュレーション研究2016
- Author(s)
  山本航、高羽洋充
- Organizer
  化学工学会第81年会
- Place of Presentation
  関西大学
- Year and Date
  2016-03-15
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] 蛍光ガラスの発光特性と微細構造との相関2016
- Author(s)
  武藤亮太、赤井智子、高羽洋充
- Organizer
  第63回応用物理学会春季学術講演会
- Place of Presentation
  東京工業大学
- Year and Date
  2016-03-22
- Data Source
  KAKENHI-PROJECT-26620200
[Presentation] 電解質の溶媒和効果も考慮したLi空気電池カソードにおける放電析出過程のモデリング2015
- Author(s)
  山本航、高羽洋充
- Organizer
  第56回電池討論会
- Place of Presentation
  愛知県産業労働センター
- Year and Date
  2015-11-13
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] リチウムイオン電池負極炭素材料のミクロ・メソ構造解析シミュレーション2015
- Author(s)
  藤波大輔、山本智、高羽洋充
- Organizer
  第42回炭素材料学会年会
- Place of Presentation
  関西大学
- Year and Date
  2015-12-02
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] リチウム空気電池における放電生成物分解に関する計算化学的研究2015
- Author(s)
  添野壮大、磯昇二郎、高羽洋充
- Organizer
  第5回CSJ化学フェスタ
- Place of Presentation
  タワーホール船堀
- Year and Date
  2015-10-15
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] Analytical Study of Polarization Curve of Li-Air Battery based on Novel Products Deposition Model Suggested by First-principles Molecular Dynamics Simulations2015
- Author(s)
  Wataru Yamamoto, Hiromitsu Takaba
- Organizer
  17th Topical Meeting of the International Society of Electrochemistry
- Place of Presentation
  Saint Malo, France
- Year and Date
  2015-06-01
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] Multi-Scale Modeling of Lithium-Air Batteries2015
- Author(s)
  Hiromitsu Takaba, Wataru Yamamoto
- Organizer
  The 14th International Symposium on Advanced Technology (ISAT-14)
- Place of Presentation
  Tokyo
- Year and Date
  2015-11-02
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] リチウム空気電池の空気極におけるLi2O2生成反応の第一原理分子動力学シミュレーション2015
- Author(s)
  山本航、高羽洋充
- Organizer
  電気化学会第82回大会
- Place of Presentation
  横浜国立大学
- Year and Date
  2015-03-17
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] 分子動力学法による[Li(G3)][TFSA]の構造解析シミュレーション2015
- Author(s)
  山本航、高羽洋充
- Organizer
  第 6 回イオン液体討論会
- Place of Presentation
  同志社大学
- Year and Date
  2015-10-26
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] Modeling of Li2O2 Deposition on Carbon Surface with Consideration of Solvation Effect of Triglyme2015
- Author(s)
  Wataru Yamamoto, Hiromitsu Takaba
- Organizer
  MRS Fall Meeting 2015
- Place of Presentation
  Boston, USA
- Year and Date
  2015-12-03
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] 電解質の溶媒和効果も考慮したLi2O2析出挙動のモデリング2015
- Author(s)
  山本航、齋藤守弘、高羽洋充
- Organizer
  電気化学秋季大会
- Place of Presentation
  埼玉工業大学
- Year and Date
  2015-09-11
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] 第一原理分子動力学法を用いたリチウム空気電池における酸化物の析出形態の解析2015
- Author(s)
  山本航、高羽洋充
- Organizer
  日本セラミックス協会2015年会
- Place of Presentation
  岡山大学津島キャンパス
- Year and Date
  2015-03-18
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] リチウム空気電池の最適化のためのシミュレーション2015
- Author(s)
  高羽洋充
- Organizer
  有機エレクトロニクス研究会(OME)
- Place of Presentation
  東京
- Year and Date
  2015-12-10
- Invited
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] リチウム空気電池における放電生成物分解過程の計算化学的研究2014
- Author(s)
  礒昇二郎、山本航、齋藤守弘、高羽洋充
- Organizer
  第55回電池討論会
- Place of Presentation
  国立京都国際会館
- Year and Date
  2014-11-19
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] Dynamics of Deposited Li2O2 Clusters on Cathode Surface in Li-O2 Battery Investigated By First-Principles Molecular Dynamics2014
- Author(s)
  Wataru Yamamoto,Md.Khorshed Alam,Hiromitsu Takaba
- Organizer
  The 225th Electrochemical Society(225th ECS Meeting)
- Place of Presentation
  The 225th Electrochemical Society(225th ECS Meeting)
- Year and Date
  2014-05-14
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] Multi-Scale Modeling of Lithium-Air Batteries2014
- Author(s)
  高羽洋充
- Organizer
  Collaborative Conference on Materials Research
- Place of Presentation
  Incheon, South Korea
- Year and Date
  2014-06-24
- Invited
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] リチウム空気電池におけるカソード反応物析出挙動の第一原理分子動力学シミュレーション2014
- Author(s)
  山本航、高羽洋充
- Organizer
  第55回電池討論会
- Place of Presentation
  国立京都国際会館
- Year and Date
  2014-11-19
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] First-Principles Calculations of Discharge Precipitates in Li-air Battery Cathode2014
- Author(s)
  Yamamoto,　Hiromitsu Takaba, Md.Khorshed Alam
- Organizer
  The 21st International SPACC Symposium
- Place of Presentation
  工学院大学
- Year and Date
  2014-11-02
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] リチウム空気電池の空気極のカーボン表面へのLi2O2析出過程のモデル化2014
- Author(s)
  山本航、高羽洋充
- Organizer
  2014電気化学秋季大会
- Place of Presentation
  北海道大学
- Year and Date
  2014-09-28
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] Multi-Level Simulator for Tibochemistry and its Applications to Diamond-like Carbon2011
- Author(s)
  高羽洋充
- Organizer
  International Tribology Conference Hiroshima 2011
- Place of Presentation
  広島国際会議場(広島)
- Year and Date
  2011-11-03
- Data Source
  KAKENHI-PROJECT-20226005
[Presentation] Frontier of Multi-Level Computational Chemistry in Catalysis2010
- Author(s)
  H.Takaba, et al.
- Organizer
  20th National Symposium on Catalysis for Energy Conversion and Conservation of Environment
- Place of Presentation
  Madras, Indo
- Year and Date
  2010-12-22
- Data Source
  KAKENHI-PROJECT-21656197
[Presentation] New Horizons in Tribology : The Computational Chemistry Paradigm2009
- Author(s)
  Akira Miyamoto, Takanori Kuriaki, Yusuke Morita, Tasuku Onodera, Ai Suzuki, Riadh Sahnoun, Michihisa Koyama, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Carlos A.Del Carpio, Momoji Kubo
- Organizer
  World Tribology Congress 2009
- Place of Presentation
  京都市国立京都国際会館
- Year and Date
  2009-09-09
- Data Source
  KAKENHI-PROJECT-20226005
[Presentation] 実験融合計算化学による微細構造解析2009
- Author(s)
  高羽洋充, ら
- Organizer
  日本コンピュータ化学会2009年春季年会
- Place of Presentation
  東京
- Year and Date
  2009-05-21
- Data Source
  KAKENHI-PROJECT-21656197
[Presentation] 機能性材料の構造解析のための実験融合計算化学手法の開発2009
- Author(s)
  高羽洋充, ら
- Organizer
  第104回触媒討論会
- Place of Presentation
  宮崎
- Year and Date
  2009-09-29
- Data Source
  KAKENHI-PROJECT-21656197
[Presentation] 計算科学の応用展開2009
- Author(s)
  高羽洋充, ら
- Organizer
  日本膜学会第31年会
- Place of Presentation
  東京
- Year and Date
  2009-05-22
- Data Source
  KAKENHI-PROJECT-21656197
[Presentation] 機能性膜構造解析のための実験融合計算化学手法の開発2009
- Author(s)
  高羽洋充, ら
- Organizer
  化学工学会第41回秋季大会
- Place of Presentation
  広島
- Year and Date
  2009-09-17
- Data Source
  KAKENHI-PROJECT-21656197
[Presentation] Development of Novel Molecular Modeling Technique for Membrane Fouling in Water Treatments2008
- Author(s)
  高羽洋充, 他7名
- Organizer
  膜国際会議(ICOM2008)
- Place of Presentation
  ホノルル, 米国
- Year and Date
  2008-07-13
- Data Source
  KAKENHI-PROJECT-18686061
[Presentation] Development of Novel Molecular Modeling Technique for Membrane Fouling. In Water Treatments2008
- Author(s)
  高羽洋充ら
- Organizer
  膜国際会議(ICOM2008)
- Place of Presentation
  米国(ホノルル)
- Year and Date
  2008-07-13
- Data Source
  KAKENHI-PROJECT-18686061
[Presentation] タンパク質の相互作用解析へのマルチスケール計算化学の応用2007
- Author(s)
  高羽洋充, ら
- Organizer
  第7回日本蛋白質科学会年会
- Place of Presentation
  仙台国際センター
- Year and Date
  2007-05-26
- Data Source
  KAKENHI-PROJECT-18686061
[Presentation] Design of Novel Porous Membranes for High Efficient CO2/N2 Separation Using Combinatorial Simulation Technique2006
- Author(s)
  Hiromitsu Takaba, Yudai Ohta and Shin-ichi Nakao
- Organizer
  AIChE Annual Meeting 2006
- Place of Presentation
  San Francisco, CA
- Year and Date
  2006-11-16
- Data Source
  KAKENHI-PROJECT-18686061
[Presentation] 荷電膜におけるイオン阻止挙動の分子シミュレーション2006
- Author(s)
  高羽洋充, 佐藤実来, 河村光隆, 中尾真一, 宮本明
- Organizer
  膜シンポジウム2006
- Place of Presentation
  京都
- Year and Date
  2006-11-22
- Data Source
  KAKENHI-PROJECT-18686061
[Presentation] リチウム空気電池カソードにおけるLi2O2の拡散に関する第一原理分子動力学計算
- Author(s)
  山本航、高羽洋充
- Organizer
  化学工学会第79年会
- Place of Presentation
  岐阜大学
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] リチウム空気電池における反応生成物の析出過程の第一原理分子動力学法計算
- Author(s)
  山本航、高羽洋充
- Organizer
  日本コンピュータ化学会2013秋季年会
- Place of Presentation
  九州大学
- Data Source
  KAKENHI-PROJECT-25420749
[Presentation] リチウム空気電池におけるカソード電極反応と電池性能に関する計算化学的研究
- Author(s)
  山本航、高羽洋充
- Organizer
  2013年電気化学秋季大会
- Place of Presentation
  東京工業大学
- Data Source
  KAKENHI-PROJECT-25420749

1. YAMAGUCHI Takeo (30272363)

# of Collaborated Projects: 5 results

# of Collaborated Products: 0 results
2. NAKAO Shin-ichi (00155665)

# of Collaborated Projects: 5 results

# of Collaborated Products: 0 results
3. MIYAMOTO Akira (50093076)

# of Collaborated Projects: 5 results

# of Collaborated Products: 23 results
4. ENDOU Akira (90344704)

# of Collaborated Projects: 3 results

# of Collaborated Products: 20 results
5. TSUBOI Hideyuki (20375182)

# of Collaborated Projects: 3 results

# of Collaborated Products: 21 results
6. HATAKEYAMA Nozomu (50312666)

# of Collaborated Projects: 3 results

# of Collaborated Products: 21 results
7. SUZUKI Ai (40463781)

# of Collaborated Projects: 3 results

# of Collaborated Products: 19 results
8. MIURA Ryuji (00570897)

# of Collaborated Projects: 3 results

# of Collaborated Products: 14 results
9. KOYAMA Michihisa (60372306)

# of Collaborated Projects: 2 results

# of Collaborated Products: 11 results
10. KUBO Momoji (90241538)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
11. AKAI TOMOKO (00356338)

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
12. TAKAMI Seiichi (40311550)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
13. SHINBO Toshio (70357250)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
14. SAKAI Yasuyuki (00235128)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
15. DEL CARPIO Carlos A. (20231053)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
16. NAGUMO Ryo

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
17. YAMAMOTO Wataru

# of Collaborated Projects: 1 results

# of Collaborated Products: 19 results

Takaba Hiromitsu 高羽 洋充

TAKABA Hiromitsu 高羽 洋充

高羽 洋允 タカバ ヒロミツ

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Development of reverse design system for optimal membrane structure by JT-VAE machine learningPrincipal Investigator

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Theoretical design of optimum composition of fluorine-based composite perovskite solar cells with moisture resistancePrincipal Investigator

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Establishment of Modeling Technique for Optimization of Li-air BatteryPrincipal Investigator

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大規模量子計算に基づく電子消滅法シミュレータの開発とナノ細孔構造解析への応用Principal Investigator

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Establishment and Application of Modeling Chemistry in Membrane Technology: Novel Design Method for Membrane Separation SystemsPrincipal Investigator

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計算機化学を利用した高選択性ゼオライト触媒膜の理論設計と開発Principal Investigator

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Study on Design Methodology for Inorganic Separation Membranes by Newly Developed Molecular Simulation MethodPrincipal Investigator

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Takaba Hiromitsu 高羽洋充

TAKABA Hiromitsu 高羽洋充

高羽洋允タカバヒロミツ

[Book] 表面分析技術選書計算シミュレーションと分析データ解析(分担執筆)2007

[Book] 表面分析技術選書計算シミュレーションと分析データ解析2007