Jan. 29 (Friday)

Time

Chairman

Speaker

Title

10:00~10:30

Registration

10:30~11:00

陳欣聰

盧建銘

Chemical Absorption of Pt (Ru) atom on the Carbon Nanotube

11:00~11:50

朱訓鵬

Coarse-grained modeling on macromolecule: coarse-grained configurational-bias Monte Carlo and Dissipative particle dynamics methods

11:50~13:00

Lunch

13:00~13:50

張自恭

陳輝龍

Mechanisms and Kinetics for the Decomposition of NO x and CO 2 gases by Specific Reactant or Catalytic Surface: A Computational Study

13:50~14:20

包淳偉

Accelerated Molecular Dynamics Simulations of Tensile Loading of Ag Nanowires

14:20~14:50

翁盟雄

Investigation of Adsorption and Dissociation of the O 2 Molecule on W(111) film and Wn(n=10-15) Nanoparticles Surface: A Density Functional Theory Study

14:50~15:10

Coffee Break

15:10~15:40

盧建銘

江幸蓉

The decomposition of Si 2 H 5 on clean and H covered Si(100) surfaces : a computational study

15:40~16:30

張自恭

Adsorption, Dissociation and diffusion of H 2 at Ni/YSZ anode

16:30~17:00

陳欣聰

Evidence for the Supply of Reactive O 2 in CO Oxidation on metal/CeO 2 : A DFT+U Study on the Intrinsic Role of Water