SYMPOSIUM AGENDA
International Symposium on Computics: Quantum Simulation and Design (ISC-QSD)
Thursday, 11 October 2012
1100-1250

Registration for Symposium at the registration desk

Opening session
1250-1320

Opening address, andMaterial design through computics
Atsushi Oshiyama (Univ. of Tokyo, Tokyo, Japan)

Session I (Computer architecture and numerical algorithm)[Chair: M. Inaba]
1320-1350

I-1

George Chiu (IBM, Yorktown Heights, USA)IBM Blue Gene/Q Platform

1350-1420

I-2

Takeo Hoshi (Tottori Univ., Tottori, Japan)
Ten-million-atom electronic structure calculations with novellinear-algebraic algorithm and the K computer

1420-1440

O-1

Yasuo Ishii (Univ. of Tokyo, Tokyo, Japan)
High Performance, Energy-Efficient and Scalable Memory Subsystem
Design for Many-Core Processors

1440-1500

O-2

Tomohiro Sogabe (Aichi Prefectural Univ., Aichi, Japan)
Krylov subspace methods for generalized shifted linear systems arisingin large-scale electronic structure calculation

1500-1530

Coffee BreakSession II (Large scale calculation)
1530-1600

I-3

1600-1630

I-4[Chair: T. Ono]
Stefan Bluegel (PGI-1 and IAS-1, Juelich, Germany)
KKRnano: Precise massively parallel density functional calculations
for thousands of atoms
Mike Gillan (UCL, London, UK)
Linear-scaling DFT on systems of over a million atoms
with the CONQUEST code11630-1650

O-3

1650-1720

I-5

1720-1750

I-6

Tsuyoshi Miyazaki (NIMS, Tsukuba, Japan)
Recent Developments in a linear scaling DFT code CONQUEST[Chair: Y. Yoshimoto]
Junichi Iwata, (Univ. of Tokyo, Tokyo, Japan)
Band structure calculations of large-scale systems by Sakurai-Sugiura
methodMarkus Eisenbach (Oak Ridge National Lab., Tennessee, USA)
Future Proofing WL-LSMS: Preparing for First Principles
Thermodynamics Calculations on Accelerator and Multicore
Architectures

Friday, 12 October 20120830-0900

Registration for Symposium at the registration desk

Session III (Transport properties)
0900-0930	  I-7

[Chair: S. Watanabe]
GuanHua Chen (Univ. of Hong Kong, Hong Kong, China)
QM/EM method and its application

0930-0950 	  O-4

Tomoya Ono (Osaka Univ., Osaka, Japan)
First-principles transport calculation method using real-space
finite-difference NEGF scheme

0950-1010 	  O-5

Kenji Sasaoka (Univ. of Tokyo, Tokyo, Japan)
Non-Equilibrium Green’s Function Simulations of Non-Linear AC
Current through a Quantum Dot

1010-1030	 

Coffee BreakSession IV (Materials Design)[Chair: K. Sato]1030-1100	  I-8

Lin-Wang Wang (LBNL, Berkeley, USA)
Large scale electronic structure calculations for nanosystems

1100-1130	  I-9

Xin-Gao Gong (Fudan Univ., Shanghai, China)
Theoretical Understanding of Multinary Alloys
for the Solar Absorbers
21130-1150	  O-6

Kazuyuki Uchida (Univ. of Tokyo, Tokyo, Japan)
Atom-scale identification of In/Si(111)-r7xr3 surface

1150-1210	  O-7

Yoshihiro Gohda (Univ. of Tokyo, Tokyo, Japan)
New phase of graphene at interfaces with GaN

1210-1230	  O-8

Tatsuki Oda (Kanazawa Univ., Kanazawa, Japan)
Electric-field effects on magnetic anisotropy in FePd andFePt ultrathin films

1230-1240

Official Photo taking at the entrance of the Osaka University Hall1240-1400

Lunch

1400-1600

Poster Session at the assembly hall
(Coffee will be served)

Session V (Dynamics)
1600-1630	  	  I-10

[Chair: S. Tsuneyuki]
Fabio Pietrucci (CECAM-EPFL, Lausanne, Switzerland)
Combining graph theory with ab initio molecular dynamics:
discovery of a new route for the transformation of graphene intofullerene

1630-1700	  	  I-11

Kazuhiro Yabana (Univ. of Tsukuba, Tsukuba, Japan)
Multi-scale first-principles approach for strong electromagnetic fieldin solids

1700-1720

Hiroshi Nakanishi (Osaka Univ., Osaka, Japan)
Quantum simulation for proton and muon on solid surfaces andin subsurfaces

O-9

Session VI (Biological system)[Chair: T. Yamato]
1720-1750

1800-2000

I-12

H. C. Watanabe(Karlsruhe Institute of Technology, Karlsruhe, Germany)
Computational challenge of protein structural modelingSymposium banquet at the assembly hall in the Osaka University Hall

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Saturday, 13 October, 20120830-0900Registration for Symposium at the registration desk

Session VII (New development in DFT and strongly correlated system)[Chair: M. Imada]
0900-0930

I-13

Silke Biermann (CPHT, Paris, France)	 

0930-1000

I-14

Arno Schindlmayr (Univ. Paderborn, Paderborn, Germany)
Efficient first-principles calculation of electronic excitation
within the all-electron FLAPW method

1000-1030

I-15

Thomas Pruschke (Univ. of Göttingen, Germany)
Density-matrix functional theory as novel approachto combine first-principle methods with correlations	 

1030-1050

Coffee Break[Chair: Y. Takada]
Naoto Tsuji (Univ. of Fribourg, Fribourg, Switzerland)
Dynamical phase transition and nonthermal steady statesin the Hubbard model

1050-1110

O-10

1110-1140

I-16

Michele Casula (CNRS, Paris, France)
Electron-phonon coupling in potassium-doped superconducting
picene1140-1200

O-11

Kazuma Nakamura (Univ. of Tokyo, Tokyo, Japan)
Ab initio low-energy models for organic materials

1200-1220

O-12

Ryo Maezono (JAIST, Ishikawa, Japan)
Non-additivity in metallic tri-wire binding

Closing session
1220-1230

SummarySymposium Closes

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