Presentations -

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

[International presentation]  1st International Symposium on Computer Materials and Biological Sciences (Tokyo, Japan) , 

2013.09

, 

Oral presentation (general)

DFT study of the bipolaron formation due to oxygen vacancy on (110) TiO2 surface

Shibuya, T., Yasuoka, K., Mirbt, S., and Sanyal, B.

[International presentation]  1st International Symposium on Computer Materials and Biological Sciences (Tokyo, Japan) , 

2013.09

, 

Poster presentation

Analysis of Methane Hydrate Growth Rate from Molecular Dynamics Simulation

Yuhara, D., Takaiwa, D and Yasuoka, K.,

[International presentation]  1st International Symposium on Conputer Materials and Biological Sciences (Tokyo, Japan) , 

2013.09

, 

Poster presentation

Molecular dynamics simulation of interaction of nucleotide with a phospholipid bilayer

Takaiwa, D., Yasuoka, K., and Ebisuzaki, T.

[International presentation]  1st International Symposium on Computer Materials and Biological Sciences (Tokyo, Japan) , 

2013.09

, 

Poster presentation

Water Transportation in Aquaporin-1 Follows non-Poisson Statics

Yamamoto, E., Akimoto, T., Hirano, Y., Yasui, M., and Yasuoka, K.

[International presentation]  1st International Symposium on Computational Materials and Biological Sciences (Tokyo, Japan) , 

2013.09

, 

Oral presentation (general)

Molecular dynamics of 5CB with GPU accelerated Coulombic calculation

Takuma Nozawa, Kazuaki Takahashi, Tetsu Narumi, and Kenji Yasuoka

[International presentation]  1st International Symposium on Computer Materials and Biological Sciences (Tokyo, Japan) , 

2013.09

, 

Poster presentation

Molecular Dynamics Simulation of Heterogeneous Nucleation on Various Seed Shapes

Donguk Suh and Kenji Yasuoka

[International presentation]  1st International Symposium on Material and Biological Sciences (Tokyo, Japan) , 

2013.09

, 

Poster presentation

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,

[International presentation]  1st International Symposium on Computer Materials and Biological Sciences (Tokyo, Japan) , 

2013.09

, 

Poster presentation

Connection of atomistic and coarse-grained molecular simulation of polymer melts based on the Rouse parameters

Nobuyoshi Yamato, Iori Yonekawa, Kenji Yasuoka, Yuichi Masubuchi

[International presentation]  1st International Symposium on Computer Materials and Biological Sciences (Tokyo, Japan) , 

2013.09

, 

Poster presentation

Study of Water-Methanol Mixture Flowing into Carbon Nanotubes with Molecular Dynamics Simulation

Winarto, Takaiwa, D., Yamamoto, E., Akimoto, T., and Yasuoka, K.

[International presentation]  1st International Symposium on Computational Materials and Biological Sciences (Tokyo, Japan) , 

2013.09

, 

Poster presentation

Ab initio Calculations of Vibrational Spectra and Guest - Host Interaction in Clathrate Hydrate

Masaki Hiratsuka, Ryo Ohmura, Amadeu K. Sum, and Kenji Yasuoka

[International presentation]  16th International Conference on the Properties of Water and Steam (London, UK) , 

2013.09

, 

Oral presentation (general)

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.

[International presentation]  16th International Conference on the Properties of Water and steam, London (London, UK) , 

2013.09

, 

Oral presentation (general)

Origin of Anomalous Feature of WaterMolecules on Membrane Surface

Yamamoto, E., Akimoto, T., Hirano, Y., Yasui, M., and Yasuoka, K.

[International presentation]  16th International Conference on the Properties of Water & Steam (London, UK) , 

2013.09

, 

Oral presentation (general)

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.

[International presentation]  7th Mini-Symposium on Liquids (Fukuoka, Japan,) , 

2013.07

, 

Poster presentation

Molecular Dynamics Simulation of Heterogeneous Nucleation on Nanorods

Donguk Suh, Kenji Yasuoka, and Xiao Cheng Zeng

[International presentation]  19th International Conference on Nucleation and Atmospheric Aerosols (Fort Collins) , 

2013.06

, 

Oral presentation (general)

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

[Domestic presentation]  第17回液晶化学研究会シンポジウム (つくば) , 

2013.06

, 

Poster presentation

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.

[Domestic presentation]  第50回日本伝熱シンポジウム (仙台) , 

2013.05

, 

Oral presentation (general)

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

[Domestic presentation]  第50回日本伝熱シンポジウム (仙台) , 

2013.05

, 

Oral presentation (general)

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

[Domestic presentation]  第50回日本伝熱シンポジウム (仙台) , 

2013.05

, 

Poster presentation

Heterogeneous Nucleation on Nanorods and Nanotubes by Molecular Dynamics

Donguk Suh and Kenji Yasuoka

[International presentation]  17th Research Workshop: Nucleation Theory and Applications (Dubna, Russia) , 

2013.04

, 

Oral presentation (general)