Project " Development of fundamental paralel algorithms (in the post-K project)"
The present project is a part of the national
" Priority issue 7 for the post-K computer:
Creation of new functional Devices and high-performance Materials to
Support next-generation Industries " (CDMSI; Apr. 2015 - Mar. 2020) .
Here " post-K " means
the next-generation flagship supercomputer in Japan.
The present project focuses on the interdisciplinary research between
HPC and computational material science,
mainly by the development of the fundamental parallel algorithms
for next-generation supercomputers.
Recent researches include
the convergence between HPC (large-scale simulations)
and ultra-high-dimensional data-driven science.
Open PD position expected to start from 1. Apr. 2018.
- Team leader:
HOSHI, Takeo (Tottori U)
(Two-page review for general readers)
Investigating Electron Waves that Propagate through Material, Using K computer, in
Research Achievements Using the HPCI System Including K computer (Vol. IV) , 2017
「『京』を中核とするHPCI利用研究課題成果事例集IV」 , 2017年
(Related photos at the exhibition booth of
T. Hoshi, H. Imachi, K. Kumahata, M. Terai, K. Miyamoto, K. Minami and F. Shoji,
Extremely scalable algorithm for 108-atom quantum material simulation on the full system of the K computer " ,
Proc. ScalA16 in SC16, 33 (2016). ;
D. Lee, T. Hoshi, T. Sogabe, Y. Miyatake, S.-L. Zhang,
Solution of the k-th eigenvalue problem in large-scale electronic structure calculations " ,
Numerical Methods for Large-scale Quantum Material Simulations
Tottori U., Mar. 2017.
Note: Dr. Imachi is working at
Preferred Networks, Inc. from Apr. 2017.
FY2015 Excellent achievement research projects of HPCI system
One-hundred-nanometer scale electronic state calculations for organic device materials
(Project number: hp150144, Leader: T. Hoshi) , Oct. 2016.
FY2016 Excellent achievement research projects of HPCI system
Organic-device material research based on 100-nano-meter electronic structure calculation and data science
(Project number: hp160066, Leader: T. Hoshi) , Nov. 2017.
Eigenvalue Problems: Algorithms, Software and Applications in Petascale Computing
" , Ed. Tetsuya Sakurai, Shao-Liang Zhang,
Toshiyuki Imamura, Yusaku Yamamoto, Yoshinobu Kuramashi, Takeo Hoshi,
Lecture Notes in Computational Science and Engineering 117,
Springer International Publishing (2017)
(Numerical routine) Eigen Kernel
H. Imachi and T. Hoshi,
Hybrid numerical solvers for massively parallel eigenvalue computation
and their benchmark with electronic structure calculations "
J. Inf. Process. 24, pp. 164 -- 172 (2016).
R. Takayama, T. Hoshi, T. Sogabe, S.-L. Zhang, and T. Fujiwara,
" Linear algebraic calculation of the Green's function
for large-scale electronic structure theory " ,
Phys. Rev. B 73, 165108, pp.1-9 (2006);
S. Yamamoto, T. Sogabe, T. Hoshi, S.-L. Zhang and T. Fujiwara,
" Shifted conjugate-orthogonal-conjugate-gradient method and its application to double orbital extended Hubbard model " ,
J. Phys. Soc. Jpn. 77,114713, 8pp, (2008)
T. Sogabe, T. Hoshi, S.-L. Zhang, and T. Fujiwara
" On a weighted quasi-residual minimization strategy of the QMR method for solving complex symmetric shifted linear systems " ,
Electron. Trans. Numer. Anal. 31, pp. 126-140 (2008)
S. Iwase, T. Hoshi, T. Ono,
Efficient numerical solver for first-principles transport calculation based on real-space finite-difference method " ,
Phys. Rev. E 91, 063305, 9pp. (2015)
T. Hoshi and Y. Yamaji,
" Joint Research Highlight: Development of numerical library K_omega ver. 1
and quantum lattice solver H_phi ver. 2 " ,
ACTIVITY REPORT 2016 / The Institute for Solid State Physics, The University of Tokyo, p.31, (2016)
- (Quantum material simulator)
T. Hoshi, S. Yamamoto, T. Fujiwara, T. Sogabe, S.-L. Zhang,
" An order-N electronic structure theory with generalized eigenvalue equations and its application to a ten-million-atom system " ,
J. Phys.: Condens. Matter 24, 165502, 5pp. (2012)
- (Sparse matrix data library)
ELSES matrix library
Organized or related workshops
(Workshop on Positron Diffraction) "
[30, Mar. 2018]
高エネルギー研(KEK, the High Energy Accelerator Research Organization)(予定;planed)
" Reliable numerical computations in HPC environments " ,
organized by Stef Graillat, Takeshi Ogita, Takeo Hoshi,
7-10, Mar. 2018, Tokyo, in
18th SIAM Conference on Parallel Processing for Scientific Computing
" Development of next-generation quantum material research platform (Next QUMAT2017)" ,
organized by Takeo Hoshi, Aiichiro Nakano, Junichi Iwata, Kengo Nakajima,
4. Dec. 2017, Tokyo.
[28-29, Nov. 2016] 電通大,
企画：山本有作, 星健夫, 松尾宇泰.
[24-25, Nov. 2015] 電通大,
企画：山本有作, 星健夫, 井町宏人.
- Related projects (partial list)
- Collaborated or related researchers (partial list)
FUJITA, Takatoshi (Institute of Molecular science)
FUKAYA, Takeshi (Hokkaido University)
HUKUSHIMA, Koji (University of Tokyo) (collaboration for data-driven science)
ISHIDA, Masaya (SUMITOMO CHEMICAL)
MATSUI, Hiroyuki (Yamagata University)
MATSUO, Takayasu (University of Tokyo)
MIYATAKE, Yuto (Nagoya University)
MOCHIZUKI, Yuji (Rikkyo University)
NAKANO, Aiichiro (University of Southern California)
NISHINO, Shinya (SUMITOMO CHEMICAL)
OGITA, Takeshi (Tokyo Woman's Christian University)
OZAKI, Taisuke (University of Tokyo)
SOGABE, Tomohiro (Nagoya University)
SUGIHARA, Masaaki (Aoyama Gakuin University)
WANG, Weichung (National Taiwan University)
YOKOKAWA, Mitsuo (Kobe University)
ZHANG, Shao-Liang (Nagoya University)