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The International Conference on Computational Methods 2007

Session 1F   Molecular and quantum methods
Time: 10:30 - 12:10 Wednesday, April 4, 2007
Location: MR 2, B1F
Chairs: Rachid Belkada (JST-KFPT Keihanna, Inc, Japan), Won Ha Moon (Samsung Electro-Mechanics, Republic of Korea)

1F-1 (Time: 10:30 - 10:50)
TitleParallel computation method for new finite element analysis with stress-strain database based on the first principle density function theory
Author*Naohiro Toda (Osaka Univ./Sumitomo Electric Industries, Ltd., Japan), Shigenobu Ogata (Osaka Univ., Japan), Hajime Kimizuka (Nanosimulation Center, Engineering Technology Division, JRI solutions, Limited, Japan), Yoji Shibutani (Osaka Univ., Japan)

1F-2 (Time: 10:50 - 11:10)
TitleMolecular-dynamics study of sintering of Ni nanoparticles
Author*Won Ha Moon, Hee Soo Kim, Chul Tack Lim, Chang Hwan Choi (Samsung Electro-Mechanics, Republic of Korea)

1F-3 (Time: 11:10 - 11:30)
TitlePolarizability of zeolitic Brønsted acidic sites
Author*Francisco Torrens (Universitat de Valencia-ICMol, Spain), Gloria Castellano (Universidad Politécnica de Valencia-Universidad Católica de Valencia San Vicente Mártir, Spain)

1F-4 (Time: 11:30 - 11:50)
TitleQuantum melting in electron-hole plasmas by direct path integral Monte Carlo method
Author*Vladimir Filinov (Institute for High Energy Density RAS, Russian Federation), Michael Bonitz (Christian-Albrechts-Universitat zu Kiel, Germany), Vladimir Fortov (Institute for High Energy Density RAS, Russian Federation), Holger Fehske (Ernst-Moritz-Arndt-Universitat, Germany), Pavel Levashov (Institute for High Energy Density RAS, Russian Federation)

1F-5 (Time: 11:50 - 12:10)
TitleEfficient Scheme for Ab Initio Calculations of Large System: Molecule/Metal Interface
Author*Rachid Belkada (JST-KFPT, Japan), Yoshiyuki Shirakawa (Doshisha Univ., Japan), Masanori Kohyama, Shingo Tanaka (AIST-Kansai, Japan), Juske Hidaka (Doshisha Univ., Japan)