Presentations -
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界面原子ダイナミクス・反応シミュレータ （Ⅱ）（HybridQMCLT） Invited
尾形修司
超先端材料超高速開発基盤技術プロジェクト（超超PJ） シミュレータ公開説明会
Event date： 2019.04
Language：Japanese Presentation type：Oral presentation (invited, special)
Venue：産総研臨海副都心センター，東京
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電子スケールから原子スケールまでの有機無機界面の動力学シミュレーション
尾形修司
「原子・分子レベルから連続体レベルに至るマルチスケールの理論構築と実際運用」研究会
Event date： 2019.03
Language：Japanese Presentation type：Oral presentation (general)
Venue：大阪大学基礎工学研究科，豊中，大阪
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第一原理分子動力学法による有機分子-金属表面の反応シミュレーション：Fe3O4 (111)表面上のTCP分子の分解反応
上村直樹，原田洋介，尾形修司
「原子・分子レベルから連続体レベルに至るマルチスケールの理論構築と実際運用」研究会
Event date： 2019.03
Language：Japanese Presentation type：Oral presentation (general)
Venue：大阪大学基礎工学研究科，豊中，大阪
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Novel scheme for evaluation of adhesion strength between liquid and polymer-grafted surface using molecular dynamics simulations Invited International conference
Masayuki Uranagase and Shuji Ogata
Advanced Functional Materials Congress 2019
Event date： 2019.03
Language：English Presentation type：Oral presentation (invited, special)
Venue：Stockholm, Sweden
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DFT-MD simulations of reaction mechanisms between tricresy phosphate and Fe3O4 (111) surface International conference
Naoki Uemura, Yosuke Harada, and Shuji Ogata
APS March Meeting
Event date： 2019.03
Language：English Presentation type：Oral presentation (general)
Venue：Boston, USA
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A DFT study of decomposition of TCP on Fe3O4 surface by molecular dynamics method International conference
Naoki Uemura, Yosuke Harada, and Shuji Ogata
Int. Conf. on Materials Science and Engineering
Event date： 2019.02
Language：English Presentation type：Poster presentation
Venue：San Francisco, USA
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Exotic Behavior of Water around the Anti-Freeze Protein: Large-scale Molecular Dynamics Simulations International conference
Shuji Ogata, Yasuhiro Kajima, and Hayato Demura
International Symposium on OptoBioTechnogy
Event date： 2019.02
Language：English Presentation type：Oral presentation (general)
Venue：Nagoya Institute of Technology
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Molecular Dynamics Simulation of Water around Amino Acids of the Anti-freeze protein International conference
Hayato Demura, Shuji Ogata, and Yasuhiro Kajima
International Symposium on OptoBioTechnogy
Event date： 2019.02
Language：English Presentation type：Poster presentation
Venue：Nagoya Institute of Technology
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大規模なハイブリッド量子古典シミュレーションによるエポキシ系接着剤の性能低下機構の解明 Invited
尾形修司
スーパーコンピュータワークショップ2018
Event date： 2019.01
Language：Japanese Presentation type：Oral presentation (invited, special)
Venue：岡崎コンファレンスセンター
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Large-scale electronic-level simulation of adhesion strength between Al and epoxy in a moist environment International conference
S. Ogata
GREEN 2018
Event date： 2018.12
Language：English Presentation type：Oral presentation (keynote)
Venue：Taipei, Taiwan
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Effects of solution on radiation damage in tungsten: a molecular dynamics study
H. Yokochi, R. Kobayashi, T. Tamura, and S. Ogata
MRS-J
Event date： 2018.12
Language：Japanese Presentation type：Oral presentation (general)
Venue：北九州
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Large-Scale DFT Simulation of Quinones@SWCNT for Novel Cathode of Li-ion Battery
T. Tsuzuki, S. Ogata, M. Uranagase, R. Kobayashi, and T. Tamura
MRS-J
Event date： 2018.12
Language：Japanese Presentation type：Oral presentation (general)
Venue：北九州
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Efficient stable structure search of solid electrolyte LLTO using machine learning
H. Kasugai, T. Tamura, M. Karasuyama, K. Kanamori, R. Kobayashi, and S. Ogata
MRS-J
Event date： 2018.12
Language：Japanese Presentation type：Oral presentation (general)
Venue：北九州
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First-principles investigation of migration of clustering He near bcc-W grain boundaries
T. Hayashi, T. Tamura, R. Kobayashi, and S. Ogata
MRS-J
Event date： 2018.12
Language：Japanese Presentation type：Oral presentation (general)
Venue：北九州
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有機/無機界面のシミュレーションに関するトピックス
浦長瀬正幸, 尾形修司
第4回CDMSIシンポジウム
Event date： 2018.12
Language：Japanese Presentation type：Oral presentation (general)
Venue：東京
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DFT-accuracy simulation of interfacial reaction and ion-transport
S. Ogata, T. Kouno, M. Uranagase, N. Ohba, and K. Tanaka
第５回HPCI成果報告会
Event date： 2018.11
Language：Japanese Presentation type：Poster presentation
Venue：東京
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Efficient evaluation of adhesion free energy between a liquid and polymer-grafted substrate International conference
M. Uranagase and S. Ogata
MMM2018
Event date： 2018.10
Language：English Presentation type：Oral presentation (general)
Venue：大阪
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Unveiling the chemical reactions involved in moisture-induced weakening of adhesion between aluminum and epoxy resin: a hybrid quantum-classical simulation study International conference
S. Ogata and M. Uranagase
MMM2018
Event date： 2018.10
Language：English Presentation type：Oral presentation (general)
Venue：大阪
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From First-Principles Calculations to Material Design: Multiscale Simulation of Nano Materials Invited International conference
R. Belkada, S. Soukane, and S. Ogata
ICCESEN-2018
Event date： 2018.10
Language：English Presentation type：Oral presentation (keynote)
Venue：Antalya, Turkey
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TCP分子と酸化鉄表面との第一原理分子動力学法による反応シミュレーション
上村 直樹, 尾形 修司，原田 洋介
日本金属学会 2018年 秋期講演大会
Event date： 2018.09
Language：Japanese Presentation type：Oral presentation (general)
Venue：仙台
