Presentations -

TBABを含むセミクラスレートハイドレートの分子動力学計算

平塚将起，大村亮，泰岡顕治

[Domestic presentation]  日本エネルギー学会第26回大会 (愛知) , 

2017.08

, 

Oral presentation (general)

分子シミュレーションを用いたメタンハイドレートの相平衡条件及びケージ占有率の解析

湯原大輔，Paul E. Brumby, David T. Wu, Amadeu K. Sum, 泰岡顕治

[Domestic presentation]  日本エネルギー学会第26回大会 (愛知) , 

2017.08

, 

Oral presentation (general)

Simulations of Gas Hydrates by the Gibbs Ensemble Monte Carlo Method with Partial Phase Separation

Brumby, P. E., Yuhara, D., Wu, D., Sum, A. K., Yasuoka, K.

[International presentation]  The 9th International Conference on Gas Hydrates (Denver, CO, USA) , 

2017.07

, 

Poster presentation

Kinetic analysis of homogeneous droplet nucleation using large scale molecular dynamics simulation

Ayuba, S., Nomura, K., Suh, D. and Yasuoka, K.

[International presentation]  The 20th International Chemical on Nucleation and Atmospheric Aerosols (Helsinki, Finland) , 

2017.07

, 

Poster presentation

Analysis of Three Phase Co-Existence Conditions for Methane Hydrate, Methane Vapor, and Liquid Water System using Isothermal-Isometric Molecular Dynamics Simulation

Yuhara, D., Brumby, P. E., Wu, D., Sum, A. K., Yasuoka, K.

The 9th International Conference on Gas Hydrate (Denver, CO, USA) , 

2017.07

, 

Poster presentation

"Isothermal-isobaric Gibbs ensemble Monte Carlo simulations of various clathrate hydrates"

Brumby, P. E., Yuhara, D., Wu, D., Sum, A. K., Yasuoka, K.

[International presentation]  Clathrate Hydrates Fundamentals Workshop (Telluride, CO, USA) , 

2017.07

, 

Oral presentation (general)

Isometric-Isothermal Molecular Dynamics Simulation of Methane Hydrate/Water/Methane Coexistence System

Daisuke Y., Brumby, P. E., Wu, D., Sum, A. K., Yasuoka, K.

[International presentation]  Clathrate Hydrate Fundamentals Workshop (Telluride, CO, USA) , 

2017.07

, 

Oral presentation (general)

Molecular dynamics simulations for the dissociation process of carbon dioxide hydrate

Hasegawa, T., Yuhara, D., Brumby, P. E., Ohmura, R., Yasuoka, K.

[International presentation]  Clathrate Hydrates Fundamentals Workshop, 2017 (Telluride, CO, USA) , 

2017.07

, 

Oral presentation (general)

Monte Carlo studies on the phase behaivior of model chiral liquid-crystals using the hybrid achoring approach

Nozawa, T., Brumby, P. E., Yasuoka, K.

[International presentation]  10th Liquid Matter Conference (Ljubljana, Slovenia) , 

2017.07

, 

Poster presentation

FMO 計算に基づくマルチスケールシミュレーション手法の開発と先導的応用

奥脇 弘次, 土居 英男, 望月 祐志, 小沢 拓, 泰岡 顕治

[Domestic presentation]  第20回理論化学討論会 (京都) , 

2017.05

, 

Poster presentation

Understanding heterogeneous nucleation on various precursor configurations by molecular dynamics

Suh, D., and Yasuoka, K.

[International presentation]  The 6th International Symposium on Micro and Nano Technology (ISMNT-6) (Fukuoka, Japan) , 

2017.03

, 

Oral presentation (general)

Development of a force field of TiO2-water interactions for classical molecular simulation by density functional theory

Irie, M., Morita, K., and Yasuoka, K.

[International presentation]  The 6th International Symposium on Micro and Nano Technology (ISMNT-6) (Fukuoka, Japan) , 

2017.03

, 

Oral presentation (general)

Behavior of excess electrons introduced by Ti interstitial in rutile TiO2(110) surface

Morita, K., Shibuya, T., and Yasuoka, K.

[International presentation]  The 6th International Symposium on Micro and Nano Technology (ISMNT-6) (Fukuoka, Japan) , 

2017.03

, 

Oral presentation (general)

Replica exchange molecular dynamics simulations of quasi-two-dimensional water in nanopore slits

Yamamitsu, R., Nomura, K., and Yasuoka, K.

[International presentation]  The 6th International Symposium on Micro and Nano Technology (ISMNT-6) (Fukuoka, Japan) , 

2017.03

, 

Oral presentation (general)

フラグメント分子軌道計算に基づく非経験的パラメータを用いた生体膜の粗視化シミュレーション

土居英男, 奥脇弘次, 望月祐志, 小沢拓, 泰岡顕治

[Domestic presentation]  日本化学会 第97春期年会(2017) (慶應義塾大学日吉キャンパス) , 

2017.03

, 

Oral presentation (general)

フラグメント分子軌道計算に基づく高分子粗視化シミュレーションパラメータの算定

奥脇弘次, 川田修太郎, 望月祐志, 小沢拓, 土居英男, 泰岡顕治

[Domestic presentation]  日本化学会 第97春期年会(2017) (慶應義塾大学日吉キャンパス) , 

2017.03

, 

Oral presentation (general)

Dissipative Particle Dynamics Simulations for Lipid Membrane using Fragment molecular orbital-based Effective Parameters

Doi, H., Okuwaki, K., Mochizuki, Y., Ozawa, T., and Yasuoka, K.

[International presentation]  The 11th SPSJ International Polymer Conference(IPC2016) (Fukuoka, Japan) , 

2016.12

, 

Poster presentation

Fragment Molecular Orbital-based Parameterizing Procedure for Dissipative Partcile Dynamics Simulations

Okuwaki, K., Doi, H., Mochizuki, Y., Ozawa, T., and Yasuoka, K.

[International presentation]  The 11th SPSJ International Polymer Conference(IPC2016) (Fukuoka, Japan) , 

2016.12

, 

Poster presentation

フラグメント分子軌道計算に基づく粗視化シミュレーションの有効パラメータ算定の展開

奥脇弘次, 望月祐志, 小沢拓, 土居英男, 泰岡顕治

[Domestic presentation]  2016年度 高分子基礎物性研究会・高分子計算機科学学会・高分子ナノテクノロジー研究会 合同討論会 (東京農工大学 小金井キャンパス) , 

2016.12

, 

Oral presentation (general)

表在性膜タンパク質の脂質膜上での不均一拡散

山本詠士, 秋本琢磨, Antreas C. Kalli, Mark S. P. Sansom, 泰岡顕治

[Domestic presentation]  第30回分子シミュレーション討論会 (大阪大学) , 

2016.12

, 

Oral presentation (general)