The 18th Asian Workshop on First-Principles
Electronic Structure Calculations
Nov. 9-11, 2015, Institute for Solid State Physics (ISSP), the University of Tokyo, Kashiwa, Japan


The invited speakers are expected to leave time of 10 and 7 minutes at least for discussion in the talks of 45 and 30 minutes, respectively.

The 1st day (Nov. 9th)

8:30-9:00 Registration
9:00-9:10 Opening

Chair: Osamu Sugino
9:10-9:55 Lucia Reining (Ecole Polytechnique Palaiseau)
A direct approach to the calculation of many-body Green's functions: theoretical spectroscopy beyond quasi-particles
9:55-10:25 Yoshifumi Noguchi (The University of Tokyo)
All-Electron First-Principles GW+Bethe-Salpeter Method
10:25-10:55 Break
Chair: Hisazumi Akai
10:55-11:40 Juerg Hutter (University of Zurich)
Large Scale Condensed Matter Simulation with MP2 and RPA Methods
11:40-12:10 Jeng-Da Chai (National Taiwan University)
TAO-DFT and Its Applications to Zigzag Graphene Nanoribbons
12:10-13:30 Lunch

Materials Researches
Chair: Tamio Oguchi
13:30-14:15 Michael Weinert (University of Wisconsin-Milwaukee)
First-principles calculations to experiment: Making the connection
14:15-14:45 Kohji Nakamura (Mie University)
Electric-field-induced modification of magnetism in metal ferromagnets
14:45-15:15 Yu-Hui Tang (National Central University)
Spin torque effect in spin-filter based magnetic tunnel junctions
15:15-15:45 Break
Chair: Kee Joo Chang
15:45-16:15 Shusuke Kasamatsu (The University of Tokyo)
The negative capacitance of multidomain ferroelectric nano-capacitors simulated using the orbital-separation approach
16:15-16:45 Shiyou Chen (East China Normal University)
Ab initio screening of photovoltaic semiconductors with benign defect and interface properties
16:45-17:15 Jun Hee Lee (UNIST)
Quantum Materials Genome and Dynamic Catalytic Activity in Thin-Film Oxides from First Principles
17:15-17:45 Jeil Jung (University of Seoul)
Ab initio theory of moire superlattices in graphene on hexagonal boron nitride

The 2nd day (Nov. 10th)

Chair: Guang-Yu Guo
9:00-9:45 Sergei Dudarev (UK Atomic Energy Authority)
Dissipative dynamics of magnetic moments and point defects
9:45-10:15 Hiroyoshi Momida (Osaka University)
First-principles studies of microscopic reaction mechanisms in sodium secondary batteries
10:15-10:45 Break
Chair: Satoshi Watanabe
10:45-11:15 Joongoo Kang (DGIST)
Period-doubling reconstructions and control of semiconductor partial dislocations
11:15-11:45 Xinzheng Li (Peking University)
Quantum simulation of low-temperature metallic liquid hydrogen
11:45-12:00 Group photo
12:00-13:30 Lunch

Materials Informatics
Chair: Isao Tanaka
13:30-14:15 Artem Oganov (Skolkovo Institute of Science and Technology)
Discovering new materials and new phenomena with evolution
14:15-14:45 Seungwu Han (Seoul National University)
Automation strategy for high-throughput ab initio calculations
14:45-15:15 Atsuto Seko (Kyoto University)
First principles interatomic potentials via compressed sensing
15:15-15:45 Break
15:45-17:45 Poster session
18:00-20:00 Banquet

The 3rd day (Nov. 11th)

Topological Materials
Chair: Jaejun Yu
9:00-9:30 Xiangang Wan (Nanjing University)
Novel properties of WTe2
9:30-10:00 Hongming Weng (Chinese Academy of Sciences)
Topological Semimetals: Dirac, Weyl and Node-line Semimetals predicted from first-principles calculation
10:00-10:30 Tay-Rong Chang (National Tsing Hua University)
Topological Nodal-Line Fermions in Strong Spin-Orbit Metal PbTaSe2
10:30-11:00 Break
Chair: Zhong Fang
11:00-11:30 Youhei Yamaji (The University of Tokyo)
Towards realization of correlated topological phases in iridium oxides
11:30-12:00 Choong Hyun Kim (Seoul National University)
Strain control of magnetic structure in layered iridates

12:00-12:10 Closing

Last modified: Oct. 8, 2015.