Presentations -

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  • Adhesion and stability of metal-organic interfaces: large-scale computer simulations Invited International conference

    Shuji Ogata

    Conf. Chem. & Nanosci. 

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    Event date: 2021.01

    Language:English   Presentation type:Oral presentation (invited, special)  

    Venue:Online  

  • Li-Si-O材料の構造欠陥の第一原理XANESシミュレーション

    片山 航,田村 友幸, 小林亮,尾形 修司

    第30回日本MRS年次大会   MRS-J

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    Event date: 2020.12

    Language:English   Presentation type:Oral presentation (general)  

    Venue:Webinar  

  • 機械学習に基づいた第一原理XANESスペクトルの予測

    飯沢 巧,田村 友幸, 小林 亮,尾形 修司

    第30回日本MRS年次大会  MRS-J

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    Event date: 2020.12

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:Webinar  

  • 金属-樹脂界面での化学反応に関する電子レベルからのダイナミックスシミュレーション International conference

    尾形修司

    HPCIシステム利用研究課題 成果報告会  高度情報科学技術研究機構

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    Event date: 2020.10

    Language:Japanese   Presentation type:Poster presentation  

    Venue:Webinar  

  • シミュレーションで観るアルミニウム表面ー樹脂間の接着のダイナミクス Invited

    尾形修司

    第10回CSJ化学フェスタ2020  日本化学会

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    Event date: 2020.10

    Language:Japanese   Presentation type:Oral presentation (invited, special)  

    Venue:webinar  

  • Novel evaluation scheme of adhesion strength at the interface between liquid and polymer-grafted substrate International conference

    Masayuki Uranagase and Shuji Ogata

    ACS National Meeting & Expo 

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    Event date: 2020.03

    Language:English   Presentation type:Oral presentation (general)  

    Venue:Philadelphia, USA  

  • ハイブリット量子古典法を用いたリン酸トリクレシル-酸化鉄界面の大規模分子動力学シミュレーション

    上村直樹, 原田洋介, 尾形修司

    日本化学会第100春季年会 

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    Event date: 2020.03

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:千葉県野田市  

  • Reaction dynamics simulation of an interface between Trecresyl phosphate and Iron oxide by a hybrid quantum and classical method International conference

    Naok Uemura, Yosuke Harada, Shuji Ogata

    DPG Spring Meetings 2020 

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    Event date: 2020.03

    Language:English   Presentation type:Oral presentation (general)  

    Venue:Dresden, Germany  

  • DFT-MDシミュレーションによる新規正極材料としてのキノン内包SWCNTの解析

    都築 貴寛,尾形 修司,浦長瀬 正幸

    分子シミュレーション討論会 

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    Event date: 2019.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:名古屋市公会堂,名古屋市  

  • 高分子修飾基板表面-液体間の接着性評価のための 自由エネルギー計算手法の構築

    浦長瀬 正幸, 尾形 修司

    分子シミュレーション討論会 

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    Event date: 2019.12

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:名古屋市公会堂,名古屋市  

  • Unveiling the chemical reactions for weakening the aluminum-epoxy resin adhesion strength: Large-scale, hybrid quantum-classical dynamics simulation Invited International conference

    Shuji Ogata and M. Uranagase

    Nano 2019 

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    Event date: 2019.11

    Language:English   Presentation type:Oral presentation (invited, special)  

    Venue:Osaka  

  • 大規模なシミュレーションによる金属と樹脂あるいは液体との接着力,接着仕事 Invited

    尾形修司

    接着・接合技術コンソーシアム 第6回企業ワークショップ 

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    Event date: 2019.11

    Language:Japanese   Presentation type:Oral presentation (keynote)  

    Venue:秋葉原,東京  

  • A free-energy calculation package for polymer-grafted solid-liquid interface: methodology and application International conference

    Masayuki Uranagase and Shuji Ogata

    Okinawa Colloids 2019 

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    Event date: 2019.11

    Language:English   Presentation type:Oral presentation (general)  

    Venue:Okinawa  

  • Large-Scale DFT Simulation of SWCNT-encapsulated Quinone Molecules for Novel Cathode of Li-ion Battery International conference

    Takahiro Tsuzuki, Shuji Ogata, and Masayuki Uranagase

    International Conference on Molecular Simulation 

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    Event date: 2019.11

    Language:English   Presentation type:Poster presentation  

    Venue:Jeju, Korea  

  • Spatiotemporal Multi-scale Simulation of Metal-organic Interfaces

    S. Ogata, M. Uranagase, N. Uemura, N.Ohba, and K. Tanaka

    第6回「京」を中核とするHPCIシステム利用研究課題成果報告会 

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    Event date: 2019.11

    Language:English   Presentation type:Poster presentation  

    Venue:品川,東京  

  • 新規二次電池正極材料としてのキノン分子内包SWCNTの第一原理シミュレーション International conference

    都築 貴寛, 尾形 修司, 浦長瀬 正幸

    第80回応用物理学会秋季大会 

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    Event date: 2019.09

    Language:Japanese   Presentation type:Poster presentation  

    Venue:北海道大学,札幌  

  • Electronic-level Dynamics Simulation of Adhesion Strength between Al and Epoxy in a Moist Environment Invited International conference

    Shuji Ogata

    Advanced Materials Sciences and Engineerings 2019 

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    Event date: 2019.07

    Language:English   Presentation type:Oral presentation (invited, special)  

    Venue:Osaka  

  • Hybrid quantum-classical dynamics simulation of adhesion strength between Al and epoxy in a moist environment Invited International conference

    Shuji Ogata

    The 7th Global Conference on Polymer and Composite Materials 2019 

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    Event date: 2019.07

    Language:English   Presentation type:Oral presentation (invited, special)  

    Venue:Bangkok, Thailand  

  • Microscopic Mechanisms of Weakening of Adhesion Strength at Aluminum-Epoxy Resin Interface under Moist Condition International conference

    Masayuki Uranagase and Shuji Ogata

    Intergranular and Interphase Boundaries in Materials 

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    Event date: 2019.07

    Language:English   Presentation type:Poster presentation  

    Venue:Paris, France  

  • Reaction Dynamics of Tricresyl Phosphate on Fe3O4 (111) Surface: a hybrid Quantum-Classical Simulation with Coarse-Grained Particles International conference

    Naoki Uemura, Yosuke Harada, and Shuji Ogata

    Intergranular and Interphase Boundaries in Materials 

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    Event date: 2019.07

    Language:English   Presentation type:Poster presentation  

    Venue:Paris, France  

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