 |
| 2013.01.16 (Wednesday) | ||
| Time | Chairman | Speaker |
| 08:00~09:00 | Registration | |
| 08:50~09:00 | Opening | |
| 09:00~09:30 | Open talk + H_storage Chair: Ching-Ming Wei |
Dr. Yoshiyuki Kawazoe Present status of computational materials science |
| 09:30~10:00 | Dr. Royji Sahara Introduction of TOMBO: Development of hydrogen storage materials | |
| 10:00~10:30 | Dr. G. P. Das Designing Materials for Hydrogen Storage: from Bulk to Nano |
|
| 10:30~11:00 | Group Photo Time/Coffee break | |
| 11:00~11:30 | Carbon-based Materials
Chair: Chun-Wei Chen |
Dr. Mei-Yin Chou Computational Study of Graphene-Like Two-Dimensional Materials |
| 11:30~12:00 | Dr. Kaoru Ohno Light Harvesting and Charge Separation Dynamics at Molecular Heterojunctions |
|
| 12:00~12:30 | Dr. Hung M. Le Theoretical Investigations of Graphene-M-Graphene(M=Cr, Fe) Interaction Compounds Using DFT Approach |
|
| 12:30~13:30 | Lunch | |
| 13:30~14:00 | Organic materials Chair: Dr. Nan-Yow Chen |
Dr. Momoji Kubo First-Principles Molecular Dynamics Simulation on Polymer Electrolyte Fuel Cell System |
| 14:00~14:30 | Dr. Ito Chao Theoretical Investigation of Organic Functional Materials |
|
| 14:30~15:00 | Dr. Sang Soo Han Improved Design of Metal Organic Frameworks for H2 , CH4 and CO2 storage by Multi-scale Simulations |
|
| 15:00~15:30 | Coffee Break/Poster exhibition | |
| 15:30~16:00 |
Chair: |
Dr. Chin-Lung Kuo TiO2 for photocatalyst |
| 16:00~16:30 | Dr. Chao-Ping Hsu Electronic coupling in electronic transfer and its application in materials |
|
| 16:30~17:00 | Dr. Masato Yoshiya Mechanisms behind Thermal Conduction in Nanolayered Thermoelectric Oxides |
|
| 17:00~17:30 | Dr. Xiao-Feng Fan Storage of Li in carbon nano-structures for the applications of Li ion battery and supercapacitor |
|
| 18:00~20:00 | Welcome Party | |
| 2013.01.17 (Thursday) | ||
| Time | Chairman | Speaker |
| 08:00~09:00 | Registration | |
| 09:00~09:30 | H_storage
Chair: Dr. Jer-Lai Kuo |
Dr. Hiroshi Mizuseki First-principles Analysis of Hydrogen Storage Properties of Alkali-Doped Organic Materials |
| 09:30~10:00 | Dr. Chun Zhang Computer design of novel catalytic systems for possible environmental/energy application |
|
| 10:00~10:30 | Dr. Seungchul Kim Growth mechanisms of Pd clusters and CVD grapheme flakes: kinetic explanations |
|
| 10:30~11:00 | Coffee Break | |
| 11:00~11:30 | CO2 capture/storageChair: Dr. Chih-Kai Yang | Dr. Abhijit Chartterjee Usage of Porous material in CO2 storage - a first principle investigation |
| 11:30~12:00 | Dr. Ming-Kang Tsai First-Principle Modeling of CO2 Capturing and Reductive Catalysis |
|
| 12:00~12:30 | Dr. Shiang-Tai Lin Band Gap Engineering on Conjugated Polymers for High Efficiency Organic Solar Cells |
|
| 12:30~13:30 | Lunch/Poster exhibition | |
| 13:30~14:00 | Catalysts Chair: Dr. Hsiao-Ching Yang |
Dr. Vijay Kumar Ab Initio Design of Metal Catalysts and Compound Semiconductor Nanoparticles for Energy Applications |
| 14:00~14:30 | Dr. J.-C. Jiang Role of computational chemistry from experimental elucidation to new material design |
|
| 14:30~15:00 | Dr. Huynh Lam Computational Design of ZnO-based Catalysts for Chemical Systems - A DFT Study |
|
| 15:00~15:30 | Coffee Break/Poster exhibition | |
| 15:30~16:00 | Semi-conductor Oxides
Chair: Dr. Ying-Chieh Sun |
Dr. Sukit Limpijumnong Defects in transparent conducting oxides by first principles calculation |
| 16:00~16:30 | Dr. Lei Liu DFT studies on band engineering of oxide semiconductors |
|
| 16:30~17:00 | Dr. Jer-Lai Kuo Band gap & Surface Chemistry of ZnO based Alloys |
|
| 17:00~17:30 | Dr. Pakpoom Reunchan Theoretical Design of Highly Active SrTiO3-based Photocatalyst from Doping Scheme toward Solar Energy Utilization for Hydrogen Production |
|
| 18:00~20:00 | Conference Banquet | |
| 2013.01.18 (Friday) | ||
| Time | Chairman | Speaker |
| 08:00~09:00 | Registration | |
| 09:00~10:00 | Chair: Dr. Wei-Nien Su |
Students Contest Presentations |
| 10:00~10:30 | Coffee break | |
| 10:30~11:00 |
Mol. Dyna. Chair: Wei-Ping Hu |
Dr. Chun-Wei Pao Polymer Nanocrystal Organizations in Polymer/Inorganic Nanocrystal Hybrid Solar Cells from Multiscale Molecular Simulation |
| 11:00~11:30 | Dr. Wen-Jay Lee Accelerated Molecular Dynamics Simulation on the formation of Helical Multi-Shell structures in Gold Nanobridge and Suspending Nanowire |
|
| 11:30~12:00 | An Awarding Ceremony and Closing Remarks (Chairman: Dr. B.-J. Hwang and Dr. J.-L Kuo) |
|
|
Prof. Yoshi Kawazoe (IMR, Tohoku University, Japan)
Prof. Jisoon Ihm Seoul (National University, Korea)
Prof. Feng Yuan Ping (National University of Singapore, Singapore)
Prof. Gour P. Das (Indian Association for the Cultivation of Science, India)
Prof. Nguyen-Manh Duc (UKAEA, UK)
Prof. S. Limpijumnong Suranaree (University of Technology, Thailand)
Prof. M. H. F. Sluiter (University of Technology, Delft, Netherlands)
Prof. Kwang-Ryeol Lee (Korea Institute of Science and Technology, Korea)
Prof. O. P. Khuong (Institute of High Performance Computing, Singapore)
Prof. Kaoru Ohno Yokohama (National University, Japan)
|
Welcome Reception
Date and Time: 18:00-20:00, January 16, 2013
Venue: 12 F, International Building, NTUST
Banquet
Date and Time: 18:00-20:00, January 17, 2013
Venue: 12 F, International Building, NTUST
|
