平成２６年度第四回ワークショップ

• 日時：　平成２７年２月１０日（火）　１５時００分～１７時３５分
• 場所：　名古屋大学大学院情報科学研究科　演習室（８階）

<<プログラム>>

1. 15:00-15:05 はじめに(Opening Remarks)
2. 15:05-15:25 Chantal　Barberot　メディア: FY2014_CREST_WS04b_Barberot.pptx
   • " Formation of an acyl enzyme complex; first step of CAL-B catalyzed ring-opening polymerization of β-lactam"
3. 15:25-15:45 Purushotham Uppula　メディア:FY2014_CREST-WS04b-Purushotham.pptx
   • "Mechanistic Study of the Opposite Influence of DiFluoro Ethylene Carbonate as Electrolyte Additive for Rechargeable Na Batteries : A Hybrid MC/MD Simulation Study"
4. 15:45-16:05 竹中規雄(Norio Takenaka)メディア:FY2014_CREST-WS04b-Takenaka.pptx
   • "Implementation of Fast Constant Potential Method for Hybrid MC/MD Reaction Simulation"
5. 16:05-16:10 (Break)
6. 16:10-16:30 鈴木雄一（Yuichi Suzuki）メディア:FY2014_CREST-WS04b_Suzuki.pptx
   • "HI Formation from H2 and I2: Theoretical Estimation of the Relaxation Time to Equilibrium State, Part Ⅱ"
7. 16:30-16:50 高柳昌芳(Masayoshi Takayanagi)メディア:FY2014_CREST_WS04b_Takayanagi.pptx
   • "Tacticity of dimeric and trimeric MMA radicals estimated by DFT calculation"
8. 16:50-17:10 Sandhya K.S. メディア:FY2014_CREST-WS04b-sandhya.pptx
   • "Trial MC/MD simulation on Zirconocene and New Proposal of Catalytic shuttling for Block polymers"
9. 17:10-17:30 質疑応答(General Discussion)
10. 17:30-17:35 おわりに(Closing Remarks)