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International Workshop on Massively Parallel Programming Now in Molecular Science

International Workshop on Massively Parallel Programming Now in Molecular Science

講演者
Speaker
Dr. Jeff Hammond, Assistant Computational Scientist, Leadership Computing Facility, Argonne National Laboratory

Dr. Dmitri G. Fedorov, senior research scientist, NRI, AIST

Dr. Masato Kobayashi, Assistant Professor, Waseda Institute for Advanced Study, Waseda University

Dr. Yuichi Inadomi, Post-doctoral Fellow, Research Institute for Information Technology, Kyushu University

Dr. Yoshimichi Ando, Research Associate, Dept. of Applied Chemistry, Nagoya University

日 時
Date & Time
 10:20 – 16:10, Monday, January 28, 2013
会 場
Venue

Main Conference Room, Ground Floor, 55N Bldg., Nishiwaseda Campus, Waseda University新規ウィンドウが開きます

主 旨
Outline
 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.
プログラム
Schedule
10:20 Opening remarks:
Prof. Hideo Sekino, Computer Science and Engineering, Toyohashi University of Technology (TUT)10:25 Opening remarks:
Prof. Kazuo Takatsuka, IMS, The University of Tokyo

10:30 Dr. Jeff Hammond, Leadership Computing Facility, Argonne National Laboratory
“Algorithms and Software for Quantum Chemistry at Petascale and Beyond”

11:30 Dr. Dmitri G. Fedorov, AIST
“Parallel implementation of the fragment molecular orbital method in GAMESS”

12:00 Lunch break

13:30 Dr. Masato Kobayashi, WIAS, Waseda University
“Divide-and-conquer quantum chemistry program in GAMESS:Implementation and application”

14:00 Dr. Yuichi Inadomi, Research Institute for Information Technology, Kyushu University
“Performance improvement of FMO program for effective massively parallel execution on K-computer”

14:30 Dr. Yoshimichi Ando, Dept. of Applied Chemistry, Nagoya University
“Development of massively parallel molecular dynamics simulation software including long-range Coulomb force calculation on K computer”

15:00 Coffee break

15:20 Free Discussion

16:00 Closing remarks:
Prof. Hideo Sekino, Computer Science and Engineering, Toyohashi University of Technology (TUT)

 言 語
Langage
 English
 対 象
Prospected Audience
 Open to public
主 催
Organizer
 Computational Materials Science Initiative (CMSI)
後 援
Backing
 Waseda Institute for Advanced Study, Waseda University
申込み
Registration
 Registration has been closed.
Dates
  • 0128

    MON
    2013

Place

Main Conference Room, Ground Floor, 55N Bldg., Nishiwaseda Campus, Waseda University

Tags
Posted

Mon, 28 Jan 2013

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