International Workshop on Quantum Chemistry Massively Parallel Programming Now in Supercomputers＜終了しました＞

Outline  開催要項

Date/Time:  10:00-17:20 on Tuesday, 28th February 2012
Venue:   1st floor of the seminar room of Komaba Faculty House, the University of Tokyo
3-8-1 Komaba, Meguro-ku, Tokyo 153-8902, Japan　　
Registration fee:  Free

日時：　2012年2月28日（火）　10:00-17:20
場所：　駒場ファカルティハウス（東大駒場キャンパス）　1階セミナールーム  
参加費：　無料

* Organized by Prof. Hiedo Sekino, Computer Science and Engineering, Toyohashi University of Technology
* Supported by the Computational Materials Science Initiative (CMSI), and the Strategic Programs for Innovative Research (SPIRE), MEXT Japan

＜Registration closed 参加お申込受付けは締め切りました＞

Focus

Several researchers who are engaged in massively parallel program developments in quantum chemistry, are invited from overseas and domestic. You can learn the programming techniques and know-how here extensively

Program

<US session>     
10:00 － 10:05 (TUT) Prof. Hideo Sekino Opening remarks
10:05 － 11:05 (Virginia Tech.) Dr. Edward Valeev 

11:05 － 11:20 coffee break  

11:20 － 12:20 (PNNL) Dr. Edoardo Aprà 

12:20 － 13:40 lunch break  

<Japan session>     
13:40 － 14:10 （Kobe Univ.) Dr. Kazuya Ishimura 
14:10 － 14:40 （Univ. Tokyo) Dr. Junichi Iwata 

14:40 － 14:55 coffee break  

14:55 － 15:25 （Univ. Tokyo) Dr. Hiroshi Watanabe 
15:25 － 15:55 （TUT） Dr. Shinji Hamada 

15:55 － 16:10 coffee break  

<Discussion session>      
16:10 － 17:10 Free Discussion  
17:10 － 17:20 (TUT) Prof. Hideo Sekino Closing remarks

* This program would be changed without a notice.

Invited Speakers

Dr. Edward Valeev, Associate Professor, Department of Chemistry, Virginia Tech. Dr. Valeev's group is developing the Massively Parallel Quantum Chemistry program (www.mpqc.org). His scientific interests include.domain-specific languages for tensor computation in science, finite-element representations for electron correlation, and explicitly-correlated electronic structure methods. More details..

Dr. Edoardo Aprà, Molecular Science Computing Performance Software group,  Environmental Molecular Sciences Laboratory at the Pacific Northwest National Laboratory (PNNL). A team led by Dr. Aprà's obtained a performance of 1.39 petaflops with the NWChem software in 2009. More details..

Dr. Kazuya Ishimura, Assistant Professor, Graduate School of System Informatics, Kobe University. Dr. Ishimura is working on GELLAN quantum chemistry program for K-computer. More details..

Dr. Junichi Iwata, CMSI Lecturer, Graduate School of Applied Physics, the University of Tokyo. Dr. Iwata is working on the real-space DFT program for K computer. More details..

Dr. Hiroshi Watanabe, Research Associate, Institute for Solid State Physics, the University of Tokyo. Dr. Watanabe is developing his own MD program for supercomputers, and is also supporting CMSI members with his expertise of supercomputers, to work on K-computer. More details..

Dr. Shinji Hamada, Research Associate, Computer Science and Engineering, Toyohashi University of Technology.　Dr. Hamada developed his own simple wavelet based electron dynamics simulator, and is currently working on code analysis and evaluation of NWChem, to work on K-computer.

Contact: Hiedo Sekino, sekino@tut.jp

The travel and accommodation expenses of CMSI participants could be paid by CMSI as long as the budget allows.