現在位置: ホーム イベント CMSI International Symposium 2013

CMSI International Symposium 2013

作者: admin — 最終変更 2013年11月15日 13時21分
∞ Extending the power of computational materials sciences with K-computer ∞
日時 2013年10月21日 00時00分 から
2013年10月22日 00時00分
場所 Ito International Research Center
カレンダーに追加 vCal
iCal


◆10/18 15時以降にお申込された方は参加申込者リストに反映されない可能性があります。◆
◆当日は "onsite registration" にお越しください ◆

 

 


The research leaders of the national strategy project report the newest result of computational materials science by K-computer. And, the latest researchers have speech and discussion about new approach of the materials science development by massively parallel computing. The discussion between participants lead the innovation of the science.

 

【Outline】

Date: October 21st, Mon. - 22nd, Tue.
* 10/21: Banquet
Venue: Ito International Research Center
in the University of Tokyo, Hongo Campus in Tokyo
※Free to attend (Banquet participation fee is 5,000yen)

 

 

◆Registeration is here!

Please register before noon on October 15th if you are thinking to attend Banquet on October 21st.

 

 

 

 

【Program】

* Every presentation includes 5 minutes' Q&A.
* Abstracts download here (PDF, 25MB)

 

 

 

 

 

 

 

 

October 21st, Monday
9:15  Registration start
Plenary Session @ Hall  ** See Floor Layout
Chair: Naoki Kawashima (The Univ. of Tokyo)
10:00-10:10 Welcome Adderess: - Kazuo Kitaura
(General chair, Kobe Univ.)
- Yoshio Kawaguchi (MEXT)
10:10-10:30   
Welcome & Introduction of CMSI Shinji Tsuneyuki
(CMSI Representative Director, The Univ. of Tokyo)
Chair: Kazuo Takatsuka (The Univ. of Tokyo)
10:30-11:30 ◎ Keynote Speech
"Global Reaction Route Mapping Strategy: 
Automatic Exploration of Chemical Reaction Mechanisms"
Keiji Morokuma (Kyoto Univ.)
Chair: Hisazumi Akai (The Univ. of Tokyo)
=== CMSI Priority Research Topic ===
11:30-12:00 Novel Quantum Phases and Nonequilibrium Dynamics
in Strongly Correlated Quantum Systems
Masatoshi Imada (The Univ. of Tokyo)
12:00-12:30 Post-Hartree-Fock Electronic Stracture Calculations on the K Seiichiro Ten-no, (Kobe Univ.)
12:30-14:00 -- Lunch --
Chair: Masatoshi Imada (The Univ. of Tokyo)
14:00-15:00 ◎ Invited Talk-1
"Exploring the dark side of cuprate high-temperature superconductors
by a combination of numerical simulations and experiments"
Shiro Sakai (The Univ. of Tokyo)
=== CMSI Priority Research Topic ===
15:00-15:30

Large-Scale and All-Atom Molecular Dynamics Simulation 
of Viruses Using the K Computer

 

 

 

 

 

Susumu Okazaki (Nagoya Univ.)
15:30-16:00 -- Coffee Break @ Multi Space --
Chair: Shinji Saito (Institute for Molecular Science)
16:00-16:30 Prediction of electron functions in nanostructures
using the density functional approach
Atsushi Oshiyama (The Univ. of Tokyo)
16:30-17:00 Large-scale calculations for basic processes
in fuel-cell related materials
Osamu Sugino (The Univ. of Tokyo)
17:00-17:30 Mechanism of hydrogen and methane hydrate formation
and dissolution and thermodynamic stability
Hideki Tanaka (Okayama Univ.)
17:30-18:00 Development of multiscale structural design and assessment
techniquesto improve the performance of metallic structural materials
Masanori Kohyama
(Advanced Industrial Science and Technology)
18:00-20:00 Banquet - Poster (CMSI activities)
- Event ( KAGURA by KARAS and Hideo )
October 22nd, Tuesday
8:30  Registration start
Chair: Naoki Kawashima (The Univ. of Tokyo)
Plenary Session @ Hall ** See Floor Layout
・・・・・・・・・・・・・・・・・・・・New Science Developed by New Massively Parallel Computation Approach・・・・・・・・・・・・・・・・・・・・
9:00- 9:10 Recent Progress in Tensor Network Algorithms Synge Todo (CMSI Kobe, The Univ. of Tokyo)
9:10-10:00 ◎ Invited Talk-2
"Simulating quantum many body systems with tensor network states"
Glen Evenbly (Caltech)
10:00-10:20 -- Coffee Break  @ Multi Space --
10:20-10:30 Large MD Simulation Noriyuki Yoshii (Nagoya Univ.)
10:30-11:20 ◎ Invited Talk-3 Weitao Yang (Duke Univ.)
11:20-11:30 Future Electronic State Calculation Jun-ichi Iwata (The Univ. of Tokyo)
11:30-12:20 ◎ Invited Talk-4
"Taking Nanoelectronics to the Next Level Through NEMO
and nanoHUB.org"
Gerhard Klimeck (Purdue University)
Parallel Session @ Gallery 1, 2, 3 **See Floor Layout
12:20-15:00 Free Discussion over Lunch Buffet @ Multi Space
Recent Progress in Tensor Network Algorithms @Gallery 2
13:00-13:30   Vladimir Kazeev (ETH Zurich)
"The tensor-structured solution of high-dimensional 
evolution equations"
13:30-14:00   Hui-Hai Zhao (ISSP, Univ. of Tokyo)
"Tensor Network Method on Finite Lattice
with Periodic Boundary Condition"
14:00-14:30   Naoki Nakatani (Hokkaido Univ.)
"Tree Tensor Network States (TTNS) and post-DMRG theory
for Quantum Chemistry: Generalizations of the DMRG algorithm"
14:30-15:00   Hiroshi Ueda (RIKEN)
"Doubling entanglement spectrum of tensor 
renormalization group"

*20mins=presentation & 10mins=Discussion
for each presentation

 

 

 

 

 

 

 

 

 

 

 

Large MD Simulation  @Gallery 1
13:00-13:30   Mikael Lund (University of Lund)
13:30-14:00   Hideaki Takahashi (Tohoku Univ.)
"Development of Massively Parallel QM/MM method
Combined with a Theory of Solutions"
14:00-14:30   Yoshimichi Andoh (Nagoya Univ.)
"Development of a Highly Parallelized 
General-Purpose Molecular Dynamics Simulation 
Program, MODYLAS, on the K computer"
14:30-15:00   Free Discussion

*20mins=presentation & 10mins=Discussion
for each presentation

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

Novel Electronic Structure Method  @Gallery 3
13:00-13:30   Volker Schauer (Stanford Univ.)
"The Reduced Basis Method in All-Electron Calculations
with Finite Elements"
13:30-14:00   Luigi Genovese (Institut Nanosciences et Cryogénie)
"Wavelets opportunities for DFT and Post-DFT calculations"     
14:00-14:30   Jussi Enkovaara(CSC - IT Center for Science)
"Massively Parallel Electronic Stracture Calculations 
with Real-Space Grids"
14:30-15:00   Free Discussion

*20mins=presentation & 10mins=Discussion
for each presentation

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

 

・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・・
15:00-15:15 Coffee Break @ Multi Space
Plenary Session @ Hall ** See Floor Layout
Chair: Koichi Yamashita (The Univ. of Tokyo)
15:15-16:15 ◎ Invited Talk-5 Jan Rossmeisl
(Center for Atomic-scale Materials Design (CAMD))
Chair: Tetsuo Mohri (Tohoku Univ.)
16:15-17:15 ◎ Invited Talk-6
"First principles at finite temperatures: New concepts 
and massively parallel computations"
Blazej Grabowski
(Max-Planck-Institut fr Eisenforschung)
17:15-17:30 Closing Remarks Kazuo Kitaura (The chairman of Executive Committee)
17:30 Fin

 

 

 

 

 

 

 

【For the Speakers】

Please download the Abstract Format here [word file].
and submit it by September 20th, Friday, to CMSI Office.

 

 

 

 

 

 

 

◆Registeration is here!

 

 

 

 

 

 

 

 

【Travel  Expense and Accomodation】

 

 

The travel and accommodation expenses of CMSI participants could be paid by CMSI as long as the budget allows. 
(We're very sorry that we have closed subscription.)

- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Hosted by Comutational Material Science Initiative (CMSI)
Supported by SPIRE and Elements Strategy Initiative, MEXT

 

 

※Should you have any question, please contact CMSI Office.