Recent papers and reports (Takeo Hoshi, OLD LOG, up to 2018)
(This page is an old log)
Please visit
my ResearchMap page for the latest information.
-
"
Numerical aspect of large-scale electronic state calculation for flexible device material
"
Takeo Hoshi, Hiroto Imachi, Akiyoshi Kuwata, Kohsuke Kakuda, Takatoshi Fujita, Hiroyuki Matsui
Preprint (https://arxiv.org/abs/1808.02027)
-
"
EigenKernel - A middleware for parallel generalized eigenvalue solvers to attain high scalability and usability
"
Kazuyuki Tanaka, Hiroto Imachi, Tomoya Fukumoto, Takeshi Fukaya, Yusaku Yamamoto, Takeo Hoshi,
Preprint (http://arxiv.org/abs/1806.00741)
-
"
Thousand-atom ab initio calculations of excited states at organic/organic interfaces:
toward first-principles investigations of charge photogeneration
"
Takatoshi Fujita, MD Khorshed Alam, and Takeo Hoshi, Physical Chemistry Chemical Physics, in press.
https://doi.org/10.1039/C8CP05574B
-
(*) "
Solution of the k-th eigenvalue problem in large-scale electronic structure calculations
"
Dongjin Lee, Takeo Hoshi, Tomohiro Sogabe, Yuto Miyatake, Shao-Liang Zhang,
J. Comp. Phys. 371, 618-632 (2018)
https://doi.org/10.1016/j.jcp.2018.06.002
Preprint (http://arxiv.org/abs/1710.05134)
-
(Edited 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)
-
"
Efficient methods for computing integrals in electronic structure calculations
"
Hisashi Kohashi, Kosuke Sugita, Masaaki Sugihara and Takeo Hoshi,
JSIAM Letters 9, pp.81-84 (2017).
-
(One-page review)
"
Joint Research Highlight:
Development of Numerical Library K_omega
ver. 1 and Quantum Lattice Solver H_phi ver. 2
"
Takeo Hoshi and Youhei Yamaji,
ISSP ACTIVITY REPORT 2016, p.31, (2017)
-
(D. Thesis) "
Numerical Methods for Large-scale Quantum Material Simulations
"
Hiroto Imachi, Tottori University, 17. Jan. 2017.
(JAPANESE brief report on D. Thesis:
審査結果要旨)
-
[ENGLISH][two-page review]
"
Investigating Electron Waves that Propagate through Material, Using K computer "
Research Organization for Information, Science and Technology (RIST),
Research Achievements Using the HPCI System Including K computer (Vol. IV) , May 2017
-
[JAPANESE][two-page review]
"
物質中を走る電子の波を「京」で探る "
高度情報科学技術研究機構(RIST),
「『京』を中核とするHPCI利用研究課題成果事例集IV」 , 2017年1月
-
(*) "
Extremely scalable algorithm for 108-atom quantum material simulation on the full system of the K computer
"
Takeo Hoshi, Hiroto Imachi, Kiyoshi Kumahata, Masaaki Terai,
Kengo Miyamoto, Kazuo Minami and Fumiyoshi Shoji,
Proc. ScalA16 in SC16, pp.33-40, (2016);
Preprint (http://arxiv.org/abs/1609.08377)
-
"
One-hundred-nm-scale electronic structure and
transport calculations of organic polymers on the K computer
"
Hiroto Imachi, Seiya Yokoyama, Takami Kaji, Yukiya Abe, Tomofumi Tada, Takeo Hoshi,
AIP Conf. Proc. 1790, 020010, 4pp. (2016)
Preprint (http://arxiv.org/abs/1603.09616)
-
(*) "
Hybrid numerical solvers for massively parallel eigenvalue computation
and their benchmark with electronic structure calculations "
Hiroto Imachi and Takeo Hoshi,
J. Inf. Process. 24, pp. 164 -- 172 (2016). (Open Access)
Preprint (http://arxiv.org/abs/1504.06443)
-
"
Efficient numerical solver for first-principles transport calculation based on real-space finite-difference method "
Shigeru Iwase, Takeo Hoshi, Tomoya Ono,
Phys. Rev. E 91, 063305, 9pp. (2015)
Preprint (http://arxiv.org/abs/1502.00081)
-
[JAPANESE][review, annual report]
"
複合数理原理による超大規模超並列電子状態計算 "
星健夫, 科研費新領域(物質デザイン)平成25年度報告書
Preprint (http://www.damp.tottori-u.ac.jp/~hoshi/info/hoshi_2014_anu_report_MatDesign_v1.pdf)
-
"
Novel linear algebraic theory and one-hundred-million-atom quantum material simulations on the K computer "
Takeo Hoshi, Tomohiro Sogabe, Takafumi Miyata, Dongjin Lee, Shao-Liang Zhang, Hiroto Imachi, Yoshifumi Kawai, Yohei Akiyama, Keita Yamazaki, Seiya Yokoyama, PoS 202, 065, 13.pp (2014).
Preprint (http://arxiv.org/abs/1402.7285)
-
"
Novel linear algebraic theory and one-hundred-million-atom electronic structure calculation on the K computer
"
Takeo Hoshi, Keita Yamazaki, Yohei Akiyama,
JPS Conf. Proc. 1, 016004, 4pp. (2014)
(
DOI :10.7566/JPSCP.1.016004)
Preprint (http://arxiv.org/abs/1307.3218)
-
"
An interior eigenvalue problem from electronic structure calculations
"
Dongjin Lee, Takafumi Miyata, Tomohiro Sogabe,
Takeo Hoshi, Shao-Liang Zhang,
Japan J. Indust. Appl. Math. 30, pp 625-633 (2013)
-
[JAPANESE][review, annual report]
星健夫,
超大規模超並列電子状態計算を中核とした物理・数理・HPCの融合研究
学際大規模情報基盤共同利用・共同研究拠点(JHPCN)
平成25年度共同研究課題の中間報告書
(2013年12月)
-
[JAPANESE][review, annual report]
超大規模量子物質シミュレーターELSES のFX10 および「京」での超並列計算
東京大学情報基盤センター「スーパーコンピューティングニュース」
, Vol.15 No.4, pp.32-41, (2013年7月号)
-
[invited review article]
"
One-hundred-million-atom electronic structure
calculations on the K computer "
Takeo Hoshi, to appear in
ISSP Supercomputer Activity Report (2013)
Preprint (http://www.damp.tottori-u.ac.jp/~hoshi/info/hoshi_2013_invited_review_ISSP_SC_v1.pdf)
-
(*)
"
Ten-million-atom electronic structure calculations on the K computer with a massively parallel order-N theory
"
Takeo Hoshi, Yohei Akiyama, Tatsunori Tanaka and Takahisa Ohno,
J. Phys. Soc. Jpn. 82, 023710, 4pp (2013)[FREE ACCESS TO FULL TEXT]
(
DOI :10.7566/JPSJ.82.023710)
Preprint (arXiv:1210.1531)
(注) 図が下記表紙に採用:
Activity Report 2013, Supercomputer Center, Institute for Solid State Physics,
The University of Tokyo
-
"
Electronic structure calculations and quantum molecular dynamics simulations of the ionic liquid PP13-TFSI
"
Shinya Nishino, Takeo Fujiwara, Hisatsugu Yamasaki, Susumu Yamamoto, Takeo Hoshi
Solid State Ionics 225, 22–25 (2012)
(
DOI :10.1016/j.ssi.2012.01.045)
-
"
Solution of generalized shifted linear systems with complex symmetric matrices
"
Tomohiro Sogabe, Takeo Hoshi, Shao-Liang Zhang, Takeo Fujiwara
J. Comp. Phys. 231, 5669-5684 (2012)
(
DOI :10.1016/j.jcp.2012.04.046)
-
(*)
"
An order-N electronic structure theory with generalized eigenvalue equations and its application to a ten-million-atom system
"
Takeo Hoshi, Susumu Yamamoto, Takeo Fujiwara, Tomohiro Sogabe, Shao-Liang Zhang,
J. Phys.: Condens. Matter 24, 165502, 5pp. (2012)
[FREE ACCESS TO FULL TEXT]
[Preprint (arXiv:1202.0098)]
(
DOI :10.1088/0953-8984/24/16/165502)
-
[JAPANESE]
「一般化固有値問題に対するArnoldi(M;W;G) 法」
山下達也, 宮田考史, 曽我部知広, 星健夫, 藤原毅夫, 張紹良
日本応用数理学会論文誌21, pp 241-254 (2011) [FREE ACCESS TO FULL TEXT]
(English explanation)
" An Arnoldi (M, W, G) Method for Generalized Eigenvalue Problems "
Tatsuya Yamashita, Takafumi Miyata, Tomohiro Sogabe,
Takeo Fujiwara, Shao-Liang Zhang, Trans of JSIAM 21, 241 (2011);
-
" Efficient and accurate linear algebraic methods for large-scale electronic structure calculations with nonorthogonal atomic orbitals
"
Honghui Teng, Takeo Fujiwara, Takeo Hoshi, Tomohiro Sogabe, Shao-Liang Zhang, Susumu Yamamoto
Phys. Rev. B 83, 165103, 12pp, (2011)
[Preprint (arXiv:1101.4768)]
-
" Large-scale Electronic Structure Calculation Theory and Applications
"
T. Fujiwara, S. Yamamoto, T. Hoshi, S. Nishino, H.Teng, T. Sogabe, S.-L. Zhang, M. Ikeda, M. Nakashima, N. Watanabe
Preprint (arXiv:1002.1202)
-
" Large scale simulation of quantum mechanical molecular dynamics
for nano-polycrystalline diamond
"
T.Hoshi, T.Iitaka, M.Fyta
J. Phys.: CS 215, 012118 (2010)
[FREE ACCESS TO FULL TEXT]
-
" Ultrathin gold nanowires "
Takeo Hoshi, Yusuke Iguchi and Takeo Fujiwara,
in Handbook of Nanophysics : Nanotubes and Nanowires ,
Ed. Klaus D. Sattler, CRC Press, pp.36.1-18, (2010).
CRC PRESS (ISBN: 9781420075465)
Preprint (accepted manuscript)
-
" Novel algorithm of large-scale simultaneous linear equations
"
T. Fujiwara, T. Hoshi, S. Yamamoto, T. Sogabe and S-L. Zhang
J. Phys.: Condens. Matter 22, 074206 (6pp) (2010).
-
" A hierarchical research by large-scale and ab initio electronic structure theories
-- Si and Ge cleavage and stepped (111)-2x1 surfaces -- "
Takeo Hoshi, Masakazu Tanikawa, Akira Ishii
Physica E 42, pp. 2784-2787 (2010)
Preprint (arxiv:0912.4970)
-
" Domain boundary formation in helical multishell gold nanowire "
Takeo Hoshi, Takeo Fujiwara
J. Phys.: Condens. Matter 21, 272201 (7pp, Fast Track Communication) (2009)
[
Animations]
[FREE ACCESS TO FULL TEXT]
Selected for IOP Select
Preprint (arXiv:0903.1819 [cond-mat.mtrl-sci], poor graphics)
-
" Development of simulation package 'ELSES' for extra-large-scale electronic-structure calculation
"
T. Hoshi and T. Fujiwara
J. Phys.: Condens. Matter 21, 064233 (4pp) (2009)
Preprint (arXiv:0808.1353 [cond-mat.mtrl-sci], poor graphics)
-
" On an application of the QMR_SYM method to complex symmetric shifted linear systems "
T. Sogabe , T. Hoshi, S.-L. Zhang , T. Fujiwara
Proc. Appl. Math. Mech. 7, 2020081 - 2020082 (2009)
-
" On a weighted quasi-residual minimization strategy of the QMR method for solving complex symmetric shifted linear systems "
T. Sogabe, T. Hoshi, S.-L. Zhang, and T. Fujiwara
Electron. Trans. Numer. Anal. 31, pp. 126-140 (2008) [FREE ACCESS TO FULL TEXT]
-
" Large-scale electronic structure calculation theory and applications to nanostructure materials "
T. Fujiwara and T. Hoshi
Appl. Surf. Sci. 254, 7781-7785 (2008)
-
(*) " Shifted Conjugate-Orthogonal-Conjugate-Gradient Method and Its Application to Double Orbital Extended Hubbard Model "
S. Yamamoto, T. Sogabe, T. Hoshi, S.-L. Zhang and T. Fujiwara
J. Phys. Soc. Jpn. 77,114713, 8pp, (2008)
Preprint (arXiv:0802.0748 [cond-mat.mtrl-sci], poor graphics)
-
" A numerical method for calculating the Green's function arising from electronic structure theory "
T. Sogabe, T. Hoshi, S.-L. Zhang, and T. Fujiwara
Frontiers of Computational Science, pp. 189-195,
Ed. Y. Kaneda, H. Kawamura and M. Sasai, Springer Verlag, Berlin Heidelberg (2007)
Preprint (math.NA/0602652)
-
" Ill-Contact Effects of d-Orbital Channels in Nanometer-Scale Conductor
"
Hiroshi Shinaoka, Takeo Hoshi and Takeo Fujiwara
J. Phys. Soc. Jpn. 77,114712, 7pp, (2008)
Preprint (arXiv:0809.3078, Condensed Matter)
-
" Ultra-large-scale electronic structure theory and numerical algorithm
"
T. Hoshi
数理解析研究所講究録1614,
計算科学の基盤技術としての高速アルゴリズムとその周辺,
pp40-52, 京都大学数理解析研究所, 京都, 2008
PDF
-
" Theory of large-scale matrix computation
and applications to electronic structure calculation"
T. Fujiwara, T. Hoshi and S. Yamamoto
J. Phys.: Condens. Matter 20, 294202, 7pp (2008)
Preprint (arXiv:0802.0748 [cond-mat.mtrl-sci])
-
(*)
" Two-stage formation model and helicity of gold nanowires
"
Y. Iguchi, T. Hoshi, T. Fujiwara
Phys. Rev. Lett. 99, 125507, pp1-4 (2007)
Preprint (cond-mat/0611738v2, accepted manuscript)
-
" Accuracy control in ultra-large-scale electronic structure calculation
"
T. Hoshi,
J. Phys.: Condens. Matter 19 365243, 7pp, (2007)
Preprint (arXiv:0708.0127 [cond-mat.mtrl-sci], accepted manuscript)
-
" Large-scale electronic structure theory for simulating nanostructure process
"
T. Hoshi, T. Fujiwara
J. Phys.: Condens. Matter 18 10787-10802 (2006)
Preprint (cond-mat/0610563, accepted manuscript)
-
(*)
" Linear algebraic calculation of the Green's function for large-scale
electronic structure theory
"
R. Takayama, T. Hoshi, T. Sogabe, S.-L. Zhang, and T. Fujiwara
Phys. Rev. B 73, 165108, pp.1-9 (2006)
Journal page,
Preprint (cond-mat/0503394)
-
" A numerical method for calculating the Green's function
arising from electronic structure theory
"
T. Sogabe, T. Hoshi, S.-L. Zhang, and T. Fujiwara
in Frontiers of Computational Science, pp. 189-195,
Ed. Y. Kaneda, H. Kawamura and M. Sasai, Springer Verlag, Berlin Heidelberg (2007)
Preprint (math.NA/0602652)
-
" Large-scale electronic-structure theory and nanoscale defects
formed in cleavage process of silicon
"
T. Hoshi, R. Takayama, Y Iguchi and T. Fujiwara,
Physica B 376-377,
pp. 975-978 (2006)
Preprint (cond-mat/0508277)
-
(依頼解説記事)
" 超大規模電子構造計算と10nmスケール系の物理
"
星健夫, 藤原毅夫
日本物理学会誌 61(4), pp. 256-259 (2006)
Journal page
-
(*)
" Nanoscale structures formed in silicon cleavage studied
with large-scale electronic structure calculations:
Surface reconstruction, steps, and bending
"
T. Hoshi, Y. Iguchi, and T. Fujiwara
Phys. Rev. B72, 075323 (2005)
Preprint (cond-mat/0409142)
-
" Krylov subspace method for molecular dynamics simulation
based on large-scale electronic structure theory
"
R. Takayama, T. Hoshi, T. Fujiwara,
J. Phys. Soc. Jpn, vol. 73, No.6, pp.1519-1524 (2004)
Preprint (cond-mat/0401498)
-
" Dynamical brittle fractures of nanocrystalline silicon
using large-scale electronic structure calculations
"
T.Hoshi and T. Fujiwara,
J. Phys. Soc. Jpn, vol. 72, No.10, pp.2429-2432 (2003)
Preprint (cond-mat/0210366)
-
" Million-atom molecular dynamics simulation by order-N electronic structure theory and parallel computation "
Masaaki Geshi, Takeo Hoshi, Takeo Fujiwara
J. Phys. Soc. Jpn. 72, pp. 2880-2885 (2003)
Preprint (cond-mat/0306461)
-
"
Structure of exact Wannier states of tetrahedral-bonded crystals
"
T.Hoshi and T. Fujiwara,
Surface Science 493, pp. 659-664 (2001).
-
"
Theory of composite-band Wannier states and order-N electronic- structure calculations
"
T.Hoshi and T. Fujiwara,
J. Phys. Soc. Jpn. 69, No.12, pp. 3773-3776 (2000).
Preprint (cond-mat/9910424)
-
(*)
" Dynamical electron-ion coupling in the ionic conductor $\alpha$ -NaSn
"
M. Miyata, T. Fujiwara, S. Yamamoto and T. Hoshi
Phys. Rev. B 60, R2135-R2138 (1999).
-
" Towards large-scale fully-selfconsistent LDA-electronic
structure calculations (Order-N Method) "
T.Hoshi and T. Fujiwara,
in ' Physics of Complex Liquids', pp129-143,
Edited by F. Yonezawa, K. Tsuji, K. Kaji, M. Doi and T. Fujiwara,
World Scientific Publishing (1998)
-
"
Electronic structure calculations and molecular dynamics
using real-space method and optimized ultra-soft pseudo potential
"
T.Hoshi and T. Fujiwara,
in 'Frontier in Material Modeling and Design', pp.51-58,
Edited by B. Raj and V. Kumar, Springer Verlag (1998) .
-
"
Fully-selfconsistent Electronic-Structure Calculation
Using Nonorthogonal Localized Orbitals within a Finite-Difference
"
T.Hoshi and T. Fujiwara,
J. Phys. Soc. Jpn, vol.66, no.12, 3710-3713(1997),
-
"
Optimized ultra-soft pseudopotential
"
T. Fujiwara and T. Hoshi
J. Phys. Soc. Jpn, vol. 66, 1723-1729 (1997),
-
(*)
"
Density-Functional Molecular Dynamics with Real-Space Finite
Difference
"
T. Hoshi, M. Arai and T. Fujiwara,
Phys. Rev.B52, R5471 (1995)
-
"
Thin film growth of layered cobalt-oxide
Bi2
Sr3
Co2
O9+\delta
nearly
isomorphic to
Bi2
Sr2
Ca
Cu2
O8+\deltasuperconductors
"
I. Tsukada, I. Terasaki, T. Hoshi, F. Yura, and K. Uchinokura,
J. Appl. Phys. 76,1317 (1994)
See also
my information on Google Scholar Citations
Back to
the main page