Tentative Page of ELSES, Extra-Large-Scale Electronic Structure calculation
This page is now under reconstruction.
ELSES, Extra-Large-Scale Electronic Structure calculation,
is a nanomaterial simulation software for large-scale quantum mechanical (electronic-state) calculation
with an order-N algorithm and first-principles-based modeled (tight-binding) theory.
ELSES is developped and maintained by ELSES consortium organized by academic and industrial researchers.
The representative of ELSES consortium is Takeo Fujiwara (University of Tokyo) (fujiwara-at-coral.t.u-tokyo.ac.jp).
The main developper is Takeo Hoshi (Tottori University)
Now the source code is available only for the consortium members.
Please join the consortium, if you are interested.
Information for the consortium members
From 2017, the code is updated on a git server and
Takeo Hoshi (Tottori University)
for the latest code.
Selected papers and reviews
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, 165502/1-5 (2012) (open access);
(Review) " Recent progress in large-scale electronic state calculations and data-driven sciences "
Takeo Hoshi and Satoshi Itoh,
Handbook of Silicon Based MEMS Materials and Technologies 3rd Ed.
Elsevier (2020). ,
(Review) " Numerical methods for large scale electronic state calculation on supercomputer "
Takeo Hoshi, Yusaku Yamamoto, Tomohiro Sogabe, Kohei Shimamura, Fuyuki Shimojo, Aiichiro Nakano, Rajiv Kalia, Priya Vashishta,
21st Century Nanoscience - A Handbook: Nanophysics Sourcebook (Volume One)
CRC Press (2019). ,
Numerical aspect of large-scale electronic state calculation for flexible device material
Takeo Hoshi, Hiroto Imachi, Akiyoshi Kuwata, Kohsuke Kakuda, Takatoshi Fujita, Hiroyuki Matsui,
Japan J. Indust. Appl. Math 36 685 - 698 (2019) (open access);
Total-energy assisted tight-binding method based on local density approximation of density functional theory
Takeo Fujiwara, Shinya Nishino, Susumu Yamamoto, Takashi Suzuki, Minoru Ikeda, and Yasuaki Ohtani,
J. Phys. Soc. Jpn. 87, 064802/1-10 (2018) (open access)
(Brief review for non-academic readers)
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
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);
Nanosecond quantum molecular dynamics simulations of the lithium superionic conductor
Shinya Nishino, Takeo Fujiwara, and Hisatsugu Yamasaki,
Phys. Rev. B 90, 024303 (2014)
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)
(Review) " Ultrathin gold nanowires "
Takeo Hoshi, Yusuke Iguchi and Takeo Fujiwara,
Handbook of Nanophysics : Nanotubes and Nanowires ,
Ed. Klaus D. Sattler, CRC Press, pp.36.1-18, (2010)
" Domain boundary formation in helical multishell gold nanowire "
Takeo Hoshi, Takeo Fujiwara
J. Phys.: Condens. Matter 21, 272201(2009)
" Two-stage formation model and helicity of gold nanowires
Y. Iguchi, T. Hoshi, T. Fujiwara
Phys. Rev. Lett. 99, 125507/1-4 (2007);
" 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);
The present page is maintained by
Takeo Hoshi (Tottori University)
Please do not hesitate to ask any question.