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  • Registration: 12:00pm -20:00pm, Oct. 27, 2013
  • Workshop program:The Workshop will start in the morning of Oct.28 (Monday) and end around noon on Oct. 30 (Wednesday).
Scientific Program for ASIAN-16
Oct. 27 (Sunday)
14:00-21:00 Registration & Reception (18:00-20:00 with drinks and snacks)
(Jiuhua Resort & Convention Center VIP building)
Oct. 28 (Monday)
8:30-8:45 Opening Remarks
Session 1 High-Pressure Structures and Conductivities
Chair : Tian Cui (Jilin University)
8:45-9:20 John Tse (University of Saskatchewan)
Stories behind Theoretical Structural Predictions
9:20-9:55 Dario Alfe (University College London)
Thermal and electrical conductivity of the Earth's core from first principles calculations
9:55-10:35 Break (group photo)
Session 2 Transport Properties
Chair : Xin-Gao Gong (Fudan University)
10:35-11:05 Tomoya Ono (Osaka University)
Real-Space Calculation Formalism for Transport Property of Defects on Surface and Interfaces
11:05-11:35 Satoshi Watanabe (University of Tokyo)
Theoretical study on AC electronic transport properties of nanostructures
11:35-12:05 Chao-Cheng Kaun (Academia Sinica)
Single-Molecule Conductance through Chiral Gold Nanotubes
12:10-13:30 Lunch (Lunch box)
13:30-16:30 Poster Session
Session 3 Novel Physics in Nanomaterials and Interface
Chair: Jisoon Ihm (Seoul National University)
16:30-17:00 Yoshitaka Tateyama (National Institute for Materials Science)
DFT-MD Analysis of Redox Reaction at Solid-Electrolyte Interface in Battery and Solar Cell
17:00-17:30 Hung-Chung Hsueh (Tamkang University)
Probing Excitonic Effects in Low-Dimensional Semiconducting Nanomaterials by ab-initio calculations
18:00- Dinner (Dinner box)
Oct. 29 (Tuesday)
Session 4 New Developments of Computational Methodologies I
Chair : Haiqing Lin (Beijing Computational Science Research Center)
8:30-9:05 E.K.U. Gross (Max Planck Institute)
Towards the ab-initio description of photo-induced processes
9:05-9:35 Yuko Okamoto (Nagoya University)
Generalized-ensemble algorithms for first-principles electronic structure calculations
9:35-10:00 Break
Session 5 New Developments of Computational Methodologies II
Chair : Isao Tanaka (Kyoto University)
10:00-10:30 Ikutaro Hamada (National Institute for Materials Science)
van der Waals density functional for solids and surfaces
10:30-11:00 Atsushi Togo (Kyoto University)
Progress in first-principles phonon calculations and phonon-phonon interactions
11:00-11:30 Byung Chan Han (DGIST)
First Principles DFT Computational Design of High Functional Energy Materials for Fuel Cells, Li-ion Batteries and Nuclear Power Applications
11:30-14:00 Lunch (Lunch box)
Session 6 Topological Materials I
Chair : Kee Joo Chang (Korea Advanced Institute of Science and Technology)
14:00-14:30 Zhong Fang (Institute of Physics)
Correlated Topological Insulators Studied by LDA+Gutzwiller Method
14:30-15:00 Hyoung Joon Choi (Yonsei University)
First-principles study of effects of magnetic impurities on topological surface states
Session 7 Topological Materials II
Chair : Tao Tang (Science and Technology on surface Physics and Chemistry Laboratory)
15:00-15:30 Xiangang Wan (Nanjing University)
Topological properties in 5d transition metal oxide
15:30-16:00 Feng-Chuan Chuang (National Sun Yat-sen University)
Nontrivial topological electronic structures in a single Bi(111) bilayer on different substrates
16:00-16:30 Break
Session 8 Spin Physics
Chair : Atsushi Oshiyama (University of Tokyo)
16:30-17:00 Hongjun Xiang (Fudan University)
Unified Model for the Spin-Order Induced Polarization in Multiferroics
17:00-17:30 Hosub Jin (Seoul National University)
Spin-orbital entangled jeff states in 4d and 5d transition metal systems
17:30-18:00 Myung Joon Han (Korea Advanced Institute of Science and Technology)
Electronic Structure, Superconductivity, and Ferromagnetism in Nickelate Superlattices
18:00- Banquet
Oct. 30 (Wednesday)
Session 9 Energy Materials
Chair : Tamio Oguchi (Osaka University)
8:35-9:10 David J. Singh (Oak Ridge National Laboratory)
Discovery of New and Old Thermoelectrics using First Principles Methods
9:10-9:40 Limin Liu (Beijing Computational Science Research Center)
Ab initio molecular dynamics study of the Green energy materials
Special Session Face to Editor of Nature Communications
Chair: Yanming Ma (Jilin University)
9:40-9:55 Changjun Zhang (Associate Editor of Nature Commun.)
How to publish in Nature Communications
9:55-10:20 Break
Session 10 Graphene and Related Materials
Chair: Mei-Yin Chou (Academia Sinica)
10:20-10:50 Ji Feng (Peking University)
Computational Studies of Dirac Materials
10:50-11:20 Young-Woo Son (Korea Institute for Advanced Study)
Effects of electron-phonon interactions on physical properties of mechanically modified graphene systems
11:20-11:40 Closing Remarks & Poster Awards
11:40- Lunch (Lunch box)

Poster Schedule

  • Each poster should be 90 cm in width and 120 cm in height.
  • The poster presenter will stand by his/her poster to answer the questions in the poster session. The posters should be set up before 13:30 on Oct. 28.

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