Presentations -

Direct Observations of Flip-flops in Membranes

秋元琢磨, 荒井規允, 山本詠士, 安井正人, 泰岡顕治

[Domestic presentation]  第50回日本生物物理学会年会 (名古屋) , 

2012.09

, 

Oral presentation (general)

Mean Exit Time Analysis about Water Molecules around Membrane Surfaces

山本詠士, 秋元琢磨, 平野秀典, 安井正人, 泰岡顕治

[Domestic presentation]  第50回日本生物物理学会年会 (名古屋) , 

2012.09

, 

Oral presentation (general)

Dynamics of Water Molecules around a Lipid Bilayer

Eiji Yamamoto, Takuma Akimoto, Yoshinori Hirano, Kenji Yasuoka, Masato Yasui

[International presentation]  International Workshop MSSMBS 2012 (Dubuna, Russia,) , 

2012.09

, 

Oral presentation (general)

Molecular motions of guest molecules in clathrate hydrates: ab initio molecular dynamics simulation

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

[International presentation]  International Workshop MSSMBS 2012 (Dubuna, Russia) , 

2012.09

, 

Oral presentation (general)

Car-Parrinello molecular dynamics simulations with Grimme vdW correction for clathrate hydrates consisting of alcohol and fluorocarbon molecules

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

[International presentation]  4th EuCheMS Chemistry Congress (Prague, Czech Republic) , 

2012.08

, 

Poster presentation

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

Nobuyoshi Yamato, Iori Yonekawa, Kenji Yasuoka, Yuichi Masubuchi

[International presentation]  The XVIth International Congress on Rheology (Lisbon, Portugal) , 

2012.08

, 

Poster presentation

Size-Dependent Phase Transitions in TIP4P Water Clusters Investigated by Multicanonical-Ensemble Molecular Dynamics Simulations

Toshihiro Kaneko, Takuma Akimoto, Kenji Yasuoka, Ayori Mitsutake, Xiao Cheng Zeng

[International presentation]  Energy Landscapes (Obergurgl, Austria) , 

2012.07

, 

Oral presentation (general)

Ab initio Molecular Dynamics Simulations for Molecular Vibrations and Motions of Guest Molecules in Clathrate Hydrates

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

[International presentation]  Tellluride Workshop on the Microscopic of Gas Hydrate (Telluride, USA) , 

2012.07

, 

Oral presentation (general)

Kinetic Analysis on Nanoparticle Condensation by Molecular Dynamics

Suh, D. and Yasuoka, K.

[International presentation]  ASME 10th International Conference on Nanochannels (Puerto Rico, USA) , 

2012.07

, 

Oral presentation (general)

Multibaric-multithermal ensemble simulation of water confined in slit pores

金子敏宏, 泰岡顕治, 光武亜代理, X. C. Zeng

[Domestic presentation]  The 6th Mini-Symposium on Liquids (福岡) , 

2012.06

, 

Poster presentation

Oxygen vacancy formation on (110) TiO2 surface - a first principles study

Taizo Shibuya, Kenji Yasuoka, Susanne Mirbt, Biplab Sanyal

[International presentation]  Frontiers in Electronic Materials: Correlation Effects and Memristive Phenomena (Nature Conference) (Aachen, Germany) , 

2012.06

, 

Poster presentation

GPU仮想化による自動冗長計算システム

吉川和幸, 川井敦, 泰岡顕治, 成見哲

[Domestic presentation]  第134回ハイパフォーマンスコンピューティング研究発表会 (東京) , 

2012.06

, 

Oral presentation (general)

クラスレート水和物のゲスト-水分子間水素結合が分子運動へ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49回日本伝熱シンポジウム (富山) , 

2012.05

, 

Oral presentation (general)

拡張アンサンブル分子動力学法によるスリット型細孔中に閉じ込められた水分子の融点の推定

金子敏宏, 泰岡顕治, 光武亜代理, X. C. Zeng

[Domestic presentation]  第49回日本伝熱シンポジウム (富山) , 

2012.05

, 

Poster presentation

分子動力学シミュレーションによる脂質二重膜周りの水分子のダイナミクスの解析

山本詠士,秋元琢磨,平野秀典,安井正人,泰岡顕治

[Domestic presentation]  第17回計算工学講演会 (京都) , 

2012.05

, 

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の高速化

野村昴太郎，坂牧隆司，成見哲，泰岡顕治

[Domestic presentation]  第17回計算工学講演会 (京都) , 

2012.05

, 

Oral presentation (general)

Hybrid functional DFT study of oxygen vacancy on (110) TiO2 surface

Taizo Shibuya, Kenji Yasuoka, Susanne Mirbt, Biplab Sanyal

[International presentation]  Psi-k Research Conference on Computational Oxide Spintronics (Cheshire, UK) , 

2012.05

, 

Poster presentation

Heterogeneous Nucleation Analysis on a Cubic Seed by Molecular Dynamics

Suh Donguk, Kenji Yasuoka

[International presentation]  15th Research Workshop: Nucleation Theory and Applications (Dubuna, Russia) , 

2012.04

, 

Oral presentation (general)

Energy landscape network in a water cluster

Takuma Akimoto, Toshihiro Kaneko, and Kenji Yasuoka

[International presentation]  The 5th Discussion Meeting on Glass Transition (Sendai, Japan) , 

2012.02

, 

Poster presentation

A Possible Mechanism on Pressure Reversal of General Anesthesia in Membrane

Eiji Yamamoto, Takuma Akimoto, Yoshinori Hirano, Kenji Yasuoka, Masato Yasui

[International presentation]  Biophysical Society 56th annual meeting (San Diego, California, USA) , 

2012.02

, 

Poster presentation