Program
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Program Schedule
The Workshop will start in the morning of Nov. 5 (Monday) and end around noon on Nov. 7 (Wednesday) at Dr. Poe Lecture Hall, Institute of Atomic and Molecular Sciences. A workshop banquet will be held on Nov. 6 at Chingye-Shinleyuan New Buffet Restaurant.
| November 4 (Sunday) | |
| 18:00 ~ 20:00 |
Registration & Reception (Institute of Atomic and Molecular Sciences, Academia Sinica) |
| November 5 (Monday) | |
| 08:20 ~ 09:00 | Registration |
| 09:00 ~ 09:10 | Opening Remarks |
| Session 1 |
Optical and Excited-States Properties Chair : Jaejun Yu (Seoul National University) |
| 09:10 ~ 09:50 |
Steven G. Louie (University of California, Berkeley) The GW Approach and Beyond to Excited-State Properties: Defects, Nanostructures and Novel Materials |
| 09:50 ~ 10:30 |
Stefano Baroni (SISSA and EPFL) Modeling the Color of Natural Dyes |
| 10:30 ~ 11:00 | Break |
| Session 2 |
Transport Properties Chair : Satoshi Watanabe (University of Tokyo) |
| 11:00 ~ 11:30 |
Junichiro Shiomi (University of Tokyo) First-Principles-Based Calculations of Mode-Dependent Pponon Transport-Application to Thermoelectrics- |
| 11:30 ~ 12:00 |
Yoshihiro Asai (AIST) Non-Equilibrium Transport Theory Applied to Thermal Physics Problems at Nanoscale |
| 12:00 ~ 12:30 |
Su Ying Quek (Institute of High Performance Computing) Prediction of Anomalous Length-Independent Resonant Transmission Peaks in Nanostructured Armchair Graphene Nanoribbon Junctions |
| 12:30 ~ 14:00 | Lunch |
| 13:30 ~ 15:00 | Poster Session |
| Session 3 |
New Aspects of Materials Properties Chair : Kee Joo Chang (KAIST) |
| 15:00 ~ 15:30 |
Jer-Lai Kuo (Academia Sinica) Phase Diagram of Water by First-Principles Methods: the Good, the Bad and the Ugly |
| 15:30 ~ 16:00 | Yu-ichiro Matsushita (University of Tokyo) Floating States and Band-Gap Variation in Semiconductors |
| 16:00 ~ 16:30 | Break |
| Session 4 |
Materials for Energy Applications Chair : Ming-Hsien Lee (Tamkang University) |
| 16:30 ~ 17:00 |
Kisuk Kang (Seoul National University) Design of Electrode Materials for Lithium Rechargeable Batteries by Combining ab initio Calculations and Experiments |
| 17:00 ~ 17:30 | Hoonkyung Lee (Konkuk University) Computational Search for Energy Storage Materials |
| November 6 (Tuesday) | |
| Session 5 |
Density Functional Theory and Beyond Chair : Tamio Oguchi (Osaka University) |
| 09:10 ~ 09:50 |
Weitao Yang (Duke University) Progress in the Fractional Perspectives of Density Functional Theory |
| 09:50 ~ 10:30 |
Nicola Marzari (EPFL) Density-Functional Theory: Time to Move on? |
| 10:30 ~ 11:00 | Break |
| Session 6 |
New Developments in Computational Methodologies Chair : Xin-Gao Gong (Fudan University) |
| 11:00 ~ 11:30 |
Shinji Tsuneyuki (University of Tokyo) Transcorrelated Method: a Feasible and Self-Consistent Wave Function Theory for Solids |
| 11:30 ~ 12:00 |
Nicephore Bonnet (AIST) A Cost Effective Computational Method for Performing First-Principles Molecular-Dynamics Simulations under Constant Potential Bias |
| 12:00 ~ 12:30 |
Yanming Ma (Jilin University) Crystal Structure Prediction via CALYPSO Methodology |
| 12:30 ~ 14:00 | Lunch & Conference Group Photo |
| 14:00 ~ 15:30 | Poster Session |
| Session 7 |
Novel Low-Dimensional Materials Chair : Atsushi Oshiyama (University of Tokyo) |
| 15:30 ~ 16:00 |
Yong-Hyun Kim (KAIST) Defect Engineering in Graphene: From Biomimetic Catalysis to Nanoscale Friction |
| 16:00 ~ 16:30 |
Cheol Hwan Park (Seoul National University) Carrier Lifetime and Intrinsic Electrical Resistivity of Graphene from First-Principles Calculations |
| 16:30 ~ 17:00 |
Joo-Hyoung Lee (Gwangju Institute of Science and Technology) First-Principles Study of the Electronic and Optical Properties of Si with Nanometer-Sized Pores |
| 18:00 ~ | Bus Leaving for Banquet |
| November 7 (Wednesday) | |
| Session 8 |
Spin Effects in Oxides Chair : Zhong Fang (Chinese Academy of Sciences) |
| 09:00 ~ 09:30 |
Kazunori Sato (Osaka University) Computational Design of Oxide-Based Spintronics Materials |
| 09:30 ~ 10:00 |
Han Hsu (National Central University) Spin Crossover in Earth Materials and Complex Oxides |
| 10:00 ~ 10:30 |
Hua Wu (Fudan University) Spin State and Orbital Physics in Transition Metal Oxides |
| 10:30 ~ 11:00 | Break |
| Session 9 |
Electronic Correlation and Superconductivity Chair : Guang-Yu Guo (National Chengchi University) |
| 11:00 ~ 11:30 |
Zhong-Yi Lu (Renming University) Electronic Structures and Magnetic Orders of Iron- Pnictides and Chalcogenides |
| 11:30 ~ 12:00 |
Horng-Tay Jeng (NTHU and Academia Sinica) Electronic Structures of Sodium Cobaltates NaxCoO2 |
| 12:00 ~ 12:40 |
Richard Martin (University of Illinois) Electronic Structure: Yesterday, Today and Tomorrow |
| 12:40 ~ | Closing & Lunch |
Poster Schedule
- Each poster board will be 150 cm wide by 90 cm high. (Usable space is 140 cm wide by 80 cm high.)
- The poster presenter will stand by his/her poster to answer the questions in the poster session on either Nov. 5 or Nov. 6 according to the poster number assigned. The posters should be set up before 11:00 am and removed at the end of the day.
