「平成26年度第四回ワークショップ」の版間の差分

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#15:00-15:05  はじめに(Opening Remarks)
 
#15:00-15:05  はじめに(Opening Remarks)
#15:05-15:25  Chantal Barberot [[メディア:pptx]]
+
#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"
 
#* " Formation of an acyl enzyme complex; first step of CAL-B catalyzed ring-opening polymerization of β-lactam"
#15:25-15:45  Purushotham Uppula [[メディア:CREST-WS03-Sandhya.pdf]]
+
#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"
 
#* "Mechanistic Study of the Opposite Influence of DiFluoro Ethylene Carbonate as Electrolyte Additive for Rechargeable Na Batteries : A Hybrid MC/MD Simulation Study"
#15:45-16:05  竹中規雄(Norio Takenaka)[[メディア:CREST-WS03-Takayanagi.pptx]]
+
#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"
 
#* "Implementation of Fast Constant Potential Method for Hybrid MC/MD Reaction Simulation"
 
#16:05-16:10  (Break)
 
#16:05-16:10  (Break)
#16:10-16:30  鈴木雄一(Yuichi Suzuki)[[メディア:CREST-WS03-Barberot.pptx]]
+
#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"
 
#* "HI Formation from H2 and I2: Theoretical Estimation of the Relaxation Time to Equilibrium State, Part Ⅱ"
#16:30-16:50  高柳昌芳(Masayoshi Takayanagi)[[メディア:CREST-WS03-Takenaka.pptx]]
+
#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"
 
#*              "Tacticity of dimeric and trimeric MMA radicals estimated by DFT calculation"
#16:50-17:10  Sandhya K.S.
+
#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"
 
#*              "Trial MC/MD simulation on Zirconocene and New Proposal of Catalytic shuttling for Block polymers"
 
#17:10-17:30  質疑応答(General Discussion)
 
#17:10-17:30  質疑応答(General Discussion)
 
#17:30-17:35  おわりに(Closing Remarks)
 
#17:30-17:35  おわりに(Closing Remarks)

2017年3月24日 (金) 09:09時点における最新版

  • 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)