Presentations -
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Molecular motion analysis of amyl-alcohol in structure II and H clathrate hydrates by molecular dynamics simulation
Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, and Kenji Yasuoka
1st International Symposium on Computer Materials and Biological Sciences (Tokyo, Japan) ,
2013.09,Oral presentation (general)
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DFT study of the bipolaron formation due to oxygen vacancy on (110) TiO2 surface
Shibuya, T., Yasuoka, K., Mirbt, S., and Sanyal, B.
1st International Symposium on Computer Materials and Biological Sciences (Tokyo, Japan) ,
2013.09,Poster presentation
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Molecular dynamics of 5CB with GPU accelerated Coulombic calculation
Takuma Nozawa, Kazuaki Takahashi, Tetsu Narumi, and Kenji Yasuoka
1st International Symposium on Computer Materials and Biological Sciences (Tokyo, Japan) ,
2013.09,Poster presentation
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Molecular Dynamics Simulation of Heterogeneous Nucleation on Various Seed Shapes
Donguk Suh and Kenji Yasuoka
1st International Symposium on Material and Biological Sciences (Tokyo, Japan) ,
2013.09,Poster presentation
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The behavior of conserved water molecules of PrPc and pathogenic mutation T188R by molecular dynamics simulations
Katsufumi Tomobe, Eiji Yamamoto, Takuma Akimoto, Masato Yasui, and Kenji Yasuoka,
1st International Symposium on Computer Materials and Biological Sciences (Tokyo, Japan) ,
2013.09,Poster presentation
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Connection of atomistic and coarse-grained molecular simulation of polymer melts based on the Rouse parameters
Nobuyoshi Yamato, Iori Yonekawa, Kenji Yasuoka, Yuichi Masubuchi
1st International Symposium on Computer Materials and Biological Sciences (Tokyo, Japan) ,
2013.09,Poster presentation
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Study of Water-Methanol Mixture Flowing into Carbon Nanotubes with Molecular Dynamics Simulation
Winarto, Takaiwa, D., Yamamoto, E., Akimoto, T., and Yasuoka, K.
1st International Symposium on Computational Materials and Biological Sciences (Tokyo, Japan) ,
2013.09,Poster presentation
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Water Transportation in Aquaporin-1 Follows non-Poisson Statics
Yamamoto, E., Akimoto, T., Hirano, Y., Yasui, M., and Yasuoka, K.
1st International Symposium on Computational Materials and Biological Sciences (Tokyo, Japan) ,
2013.09,Oral presentation (general)
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Analysis of Methane Hydrate Growth Rate from Molecular Dynamics Simulation
Yuhara, D., Takaiwa, D and Yasuoka, K.,
1st International Symposium on Conputer Materials and Biological Sciences (Tokyo, Japan) ,
2013.09,Poster presentation
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Molecular dynamics simulation of interaction of nucleotide with a phospholipid bilayer
Takaiwa, D., Yasuoka, K., and Ebisuzaki, T.
1st International Symposium on Computer Materials and Biological Sciences (Tokyo, Japan) ,
2013.09,Poster presentation
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Ab initio Calculations of Vibrational Spectra and Guest - Host Interaction in Clathrate Hydrate
Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, and Kenji Yasuoka
16th International Conference on the Properties of Water and Steam (London, UK) ,
2013.09,Oral presentation (general)
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The melting point of hexagonal ice from the isobaric-isoenthalpic molecular dynamics simulation
Takaiwa, D., Sakamaki, R., Sum, A.K., Narumi, T., and Yasuoka, K.
16th International Conference on the Properties of Water and steam, London (London, UK) ,
2013.09,Oral presentation (general)
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Origin of Anomalous Feature of WaterMolecules on Membrane Surface
Yamamoto, E., Akimoto, T., Hirano, Y., Yasui, M., and Yasuoka, K.
16th International Conference on the Properties of Water & Steam (London, UK) ,
2013.09,Oral presentation (general)
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The role of beta sheets formation in the early stage self-assembly of peptide amphiphile worm-like micelles: A replica-exchange molecular dynamics study
Kaneko, T., Hara, T., Mitsutake, A., and Yasuoka, K.
7th Mini-Symposium on Liquids (Fukuoka, Japan,) ,
2013.07,Poster presentation
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Molecular Dynamics Simulation of Heterogeneous Nucleation on Nanorods
Donguk Suh, Kenji Yasuoka, and Xiao Cheng Zeng
19th International Conference on Nucleation and Atmospheric Aerosols (Fort Collins) ,
2013.06,Oral presentation (general)
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棒状液晶の分子動力学シミュレーションにおける静電相互作用の影響
野澤拓磨, 亀岡駿, 高橋和義, 成見哲, 泰岡顕治
第17回液晶化学研究会シンポジウム (つくば) ,
2013.06,Poster presentation
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固液平衡条件を定量的に決定するための手法開発とナノ細孔中の水分子への適用
金子敏宏，Bai, J.，泰岡顕治，光武亜代理，Zeng, X. C.
第50回日本伝熱シンポジウム (仙台) ,
2013.05,Oral presentation (general)
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GPU を用いたレプリカ交換分子動力学シミュレーションによる Lennard-Jones 流体の固液相転移点の推定
野村昴太郎, 老川稔, 川井敦, 成見哲, 泰岡顕治
第50回日本伝熱シンポジウム (仙台) ,
2013.05,Oral presentation (general)
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ゲスト-水分子間相互作用がクラスレート水和物の振動スペクトルに及ぼす影響の第一原理分子動力学シミュレーション
平塚将起, 大村亮, Amadeu K. Sum, 泰岡顕治
第50回日本伝熱シンポジウム (仙台) ,
2013.05,Poster presentation
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Heterogeneous Nucleation on Nanorods and Nanotubes by Molecular Dynamics
Donguk Suh and Kenji Yasuoka
17th Research Workshop: Nucleation Theory and Applications (Dubna, Russia) ,
2013.04,Oral presentation (general)