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ホーム > シンポジウム案内 >4th International Workshop on Massively Parallel Programming Now in Quantum Chemistry and Physics

The Strategic Programs for Innovative Research (SPIRE), MEXT Japan The Computational Materials Science Initiative (CMSI)4th International Workshop on Massively Parallel Programming Now in Quantum Chemistry and Physics - Toward post-K computers

The Workshop has been concluded successfully.

Date Sunday, November 23rd, and Monday, November 24th, 2014
photo gallery
Venue Room 64, 2nd floor, Faculty of Engineering Bldg. 6, The University of Tokyo, Hongo Campus, 7-3-1, Hongo, Bunkyo-ku, Tokyo 113-8654, Japan
Access to Hongo Campus:http://www.u-tokyo.ac.jp/en/about/documents/accessmap_E.pdf
Hongo Campus Map(No.79 Bld):http://www.u-tokyo.ac.jp/en/about/documents/Hongo_CampusMap_E.pdf
Organizer Prof. Hideo Sekino, Toyohashi University of Technology (TUT), Dr. Jun'ichi Iwata, Univ. of Tokyo, and Dr. Kazuya Ishimura, IMS.
Sponsor The Computational Materials Science Initiative (CMSI), and the Strategic Programs for Innovative Research (SPIRE), MEXT Japan.
Focus Several researchers who are engaged in massively parallel program developments in quantum physics and chemistry, are invited from overseas and domestic. You can learn the programming techniques and know-how here extensively.
Contact Hiedo Sekino, sekino[at]tut.jp
Jun'ichi Iwata, iwata[at]ap.t.u-tokyo.ac.jp
Kazuya Ishimura, ishimura[at]ims.ac.jp

Registration(Until Nov. 17)

Please click right button for Registration.→
※Travel expenses will be paid within the limits of the budget only for the TCCI members.

Program

Day1: Sunday, November 23rd, 2014

Session1:

11:00-11:05 Opening remarks
Prof. Hideo Sekino(TUT)
11:05-11:10 Welcome speech
Prof. Kazuo Takatsuka(Univ. of Tokyo)
11:10-12:10 A critical perspective of challenges and future directions in electronic structure calculations in many-core parallel computers.
Dr. Alvaro Vazquez-Mayagoitia(ALCF)
12:10-13:40 lunch break

Session2:

13:40-14:10 Parallel implementation of divide-and-conquer quantum chemistry
Dr. Masato Kobayashi(Hokkaido Univ.)
14:10-14:40 Development and applications of a linear-scaling DFT code CONQUEST
Dr. Tsuyoshi Miyazaki(NIMS)
14:40-15:10 Development of Massively Parallel Quantum Chemistry Program SMASH
Dr. Kazuya Ishimura(IMS)
15:10-15:40 Real-Space grid DFT code for Massively-Parallel computers
Dr. Junichi Iwata(Univ. of Tokyo)
15:40-16:00 coffee break

Session3:Poster session

16:00-18:00 Poster session(A0-size x2/presentation)
@ Seminar room AD, 3rd floor, Faculty of Engineering Bldg. 6, The University of Tokyo, Hongo Campus

Banquet(optional, fee:4000 yen)

18:00-20:00 Banquet
@ Seminar room AD, 3rd floor, Faculty of Engineering Bldg. 6, The University of Tokyo, Hongo Campus

Day2: Monday, November 24th, 2014

Session4:

9:00-10:00 Accelerating multiconfigurational quantum chemistry with graphical processing units
Dr. Edward Hohenstein(City College New York)
10:00-10:30 Development and application of planewave based first-principles electronic structure calculation code "xTAPP"
Dr. Yoshihide Yoshimoto(Univ. of Tokyo)
10:30-10:50 coffee break

Session5:Panel discussion

10:50-12:00 Panel discussion
12:00-13:30 lunch break

Session6:

13:30-14:30 Accurate linear scaling DFT calculations for very large systems
Dr. Stephan Mohr(Institut Nanosciences et Cryogénie, CEA)
14:30-15:00 OpenFFT: An Open-Source Package for 3-D FFTs with Minimal Volume of Communication
Dr. Truong Vinh Truong Duy(Univ. of Tokyo)
15:00-15:30 Development of the program package of photoinduced electrondynamics: GCEED (Grid-based Coupled Electron and Electromagnetic field Dynamics)
Dr. Masashi Noda(IMS)
15:30-15:50 coffee break

Session7:

15:50-16:20 Development of a 3rd Gen DFT program: ProteinDF
Dr. Toshiyuki Hirano(Univ. of Tokyo)
16:20-16:50 Algorithm and implementation of Møller –Plesset perturbation theory for petaflops supercomputers.
Dr. Michio Katouda(Riken AICS)
16:50-17:00 Closing comments
Prof. Hideo Sekino(TUT)

*This program would be changed without a notice.

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