Project " Development of fundamental paralel algorithms (in the post-K project)"
The present project is a part of the national
"
post-K
"
project or
" 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.
-
(NEW)(Japanese)
研究会(7/17,東大)
「データ駆動科学と高速計算科学」
-
(Closed)
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
(Japanese translation)
「物質中を走る電子の波を『京』で探る」, in
「『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
RIST in
SC17)
photo1,
photo2 (Thanks
RIST).
-
(Recent paper)
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). ;
Preprint (http://arxiv.org/abs/1609.08377)
-
(Recent paper)
D. Lee, T. Hoshi, T. Sogabe, Y. Miyatake, S.-L. Zhang,
"
Solution of the k-th eigenvalue problem in large-scale electronic structure calculations " ,
Preprint (http://arxiv.org/abs/1710.05134))
-
(Project-related thesis)
H. Imachi,
D. Thesis,
"
Numerical Methods for Large-scale Quantum Material Simulations
"
,
Tottori U., Mar. 2017.
Note: Dr. Imachi is working at
Preferred Networks, Inc. from Apr. 2017.
-
(Award)
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.
-
(Award)
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.
-
(Project-related book)
"
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
[Github site]
[MateriApps site]
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).
-
(Numerical routine)
K_omega
[Github site]
[MateriApps site]
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);
Preprint (https://arxiv.org/abs/cond-mat/0503394/)
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)
Preprint (http://arxiv.org/abs/1502.00081)
T. Hoshi and Y. Yamaji,
(review)
" 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)
ELSES (http://www.elses.jp/)
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
-
Team members
-
Organized or related workshops
-
(domestic workshop)
" 陽電子回折研究会
(Workshop on Positron Diffraction) "
[30, Mar. 2018]
高エネルギー研(KEK, the High Energy Accelerator Research Organization)(予定;planed)
-
(international symposium)
" 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
-
(international workshop)
" Development of next-generation quantum material research platform (Next QUMAT2017)" ,
organized by Takeo Hoshi, Aiichiro Nakano, Junichi Iwata, Kengo Nakajima,
4. Dec. 2017, Tokyo.
-
(domestic workshop)
" 計算物質科学における時空間アップスケーリングと数理手法
"
[28-29, Nov. 2016] 電通大,
企画:山本有作, 星健夫, 松尾宇泰.
-
(domestic workshop)
" 数理構造保存を接点とした数学・HPC・実科学のクロスオーバー
"
[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)