Presentations -

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  • 新規正極材料に向けたキノン分子を内包したSWCNTの第一原理シミュレーション

    都築 貴寛, 尾形 修司,浦長瀬 正幸

    第79回応用物理学会秋季講演会 

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    Event date: 2018.09

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:名古屋  

  • 分子動力学シミュレーションによる金基板自己組織化単分子膜の振動解析

    浦長瀬正幸, 尾形修司

    日本物理学会 2018年秋季大会 

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    Event date: 2018.09

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:京田辺  

  • Hybrid Quantum-Classical Dynamics Simulation of Moisture-Induced Weakening of Metal-Resin Adhesion Invited International conference

    S. Ogata and M. Uranagase

    EMN Meeting on Computation and Theory 

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    Event date: 2018.09

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

    Venue:San Sebastian, Spain  

  • Large-Scale DFT Molecular-Dynamics Simulation of Organic Molecules@SWCNT for Li-ion Battery Electrode Invited International conference

    S. Ogata and T. Tsuzuki

    EMN Meeting on Computation and Theory 

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    Event date: 2018.09

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

    Venue:San Sebastian, Spain  

  • Simulation of adhesion between organic materials and inorganic solids

    K. Tanaka, H. Mori, S. Tajimi, M. Uranagase, and S. Ogata

    第3回CDMSIシンポジウム 

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    Event date: 2018.07

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:東京  

  • Large-Scale First-Principles Molecular Dynamics Simulation of Organic Molecules@SWCNT for Novel Cathode Material of Li-Ion Battery International conference

    S. Ogata, T. Tsuzuki, and M. Uranagase

    60th Electronic Materials Conference  

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    Event date: 2018.06

    Language:English   Presentation type:Oral presentation (general)  

    Venue:Santa Barbara, USA  

  • Large-scale hybrid quantum-classical simulation of metal-epoxy resin bonding in moist environment Invited International conference

    S. Ogata and M. Uranagase

    MSAM2018 

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    Event date: 2018.04

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

    Venue:Kitakyushu, Japan  

  • 熱力学積分法による高分子修飾表面-液体間の接着仕事の評価手法の構築

    浦長瀬正幸, 尾形修司

    日本物理学会第73回年次大会 

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    Event date: 2018.03

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:野田市  

  • Efficient evaluation method of the work of adhesion between liquid and polymer-grafted surface using thermodynamic integration Invited International conference

    M. Uranagase1 and S. Ogata

    ICNN 2018 

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    Event date: 2018.02

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

    Venue:Selangor, Malaysia  

  • Large-scale DFT simulation of quinone molecules encapsulated in SWCNT for cathodes of rechargeable battery International conference

    T. Tsuzuki, S. Ogata, and M. Uranagase

    ICNN 2018 

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    Event date: 2018.02

    Language:English   Presentation type:Oral presentation (general)  

    Venue:Selangor, Malaysia  

  • Large-scale DFT-based simulation of metal-epoxy resin bonding in moisture environment Invited International conference

    S. Ogata and M. Uranagase

    Adv. Mat. World Congress 2018 

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    Event date: 2018.02

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

    Venue:Singapore  

  • Effects of stress-matching on the quality of neural-network potentials

    H. Nakashima, R. Kobayashi, T. Tamura, and S. Ogata

    MRS-J 

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    Event date: 2017.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:横浜  

  • Neural-network as a correction to classical interatomic potential for Li-ion battery materials

    T. Ullah, R. Kobayashi, T. Tamura, and S. Ogata

    MRS-J 

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    Event date: 2017.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:横浜  

  • Li migration near solid-electrolyte LLTO (Li3xLa2/3-xTiO3) grain boundaries

    Y. Motoyama, T. Tamura, R. Kobayashi, and S. Ogata

    MRS-J 

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    Event date: 2017.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:横浜  

  • Correlation between local structure and Li diffusion in La2/3-xLi3xTiO3

    H. Kasugai, T. Tamura, R. Kobayashi, and S. Ogata

    MRS-J 

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    Event date: 2017.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:横浜  

  • First-principles investigation of migration of clustering noble gas atoms in bcc W

    T. Hayashi, T. Tamura, R. Kobayashi, and S. Ogata

    MRS-J 

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    Event date: 2017.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:横浜  

  • 有機/無機界面関連のトピックス Invited

    尾形修司

    第3回CDMSI研究会  CDMSI

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    Event date: 2017.12

    Language:Japanese   Presentation type:Oral presentation (general)  

    Venue:東京  

  • 液体-高分子修飾基盤界面の接着仕事の効率的な計算手法の開発

    浦長瀬正幸,尾形修司

    第3回CDMSI研究会  CDMSI

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    Event date: 2017.12

    Language:Japanese   Presentation type:Poster presentation  

    Venue:東京  

  • Large-scale DFT Simulation about Insertion and Extraction of Li’s for Quinons@SWCNT for Rechargeable Battery International conference

    T. Tsuzuki, S. Ogata, M. Uranagase

    MRS Fall meeting 2017  MRS

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    Event date: 2017.11

    Language:English   Presentation type:Poster presentation  

    Venue:Boston, USA  

  • Smart MD-Sampling Method for Interfacial Free Energy between Polymer-grafted Substrate and Liquid International conference

    Uranagase and S. Ogata

    MRS Fall meeting 2017  MRS

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    Event date: 2017.11

    Language:English   Presentation type:Poster presentation  

    Venue:Boston, USA  

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