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.