Large-scale DFT simulations with a linear-scaling DFT code CONQUEST on K-computer-Reference-Cited by-同舟云学术

Large-scale DFT simulations with a linear-scaling DFT code CONQUEST on K-computer

Published:2014 Issue:1 Volume:1 Page:87-97
ISSN:2188-5303
Container-title:Journal of Advanced Simulation in Science and Engineering
language:en
Short-container-title:JASSE

Author:

Arita Michiaki¹²,Arapan Sergiu¹,Bowler David R.³⁴,Miyazaki Tsuyoshi¹²

Affiliation:

1. Computational Materials Science Unit, National Instituite for Materials Science

2. Department of Physics, Science and Technology, Tokyo University of Science

3. London Centre for Nanotechnology, University College London

4. MANA, National Instituite for Materials Science

Publisher

Japan Society for Simulation Technology

Subject

General Engineering

Link

https://www.jstage.jst.go.jp/article/jasse/1/1/1_87/_pdf

Reference24 articles.

1. [1] TOP500 Supercomputer Sites: http://www.top500.org, 24, February, 2014.

2. [2] D. R. Bowler and T. Miyazaki: O(N) methods in electronic structure calculations, Reports on Progress in Physics, 75 (2012), 036503.

3. [3] E. Hernández, M. J. Gillan, and C. M. Goringe: Linear-scaling density-functional technique: The density matrix approach, Phys. Rev. B, 53 (1996), 7147-7157.

4. [4] D. R. Bowler, T. Miyazaki, and M. J. Gillan: Recent progress in linear scaling ab initio electronic structure techniques, J. Phys.: Condens. Matter, 14 (2002), 2781-2798.

5. [5] D. R. Bowler, R. Choudhury, M. J. Gillan, and T. Miyazaki: Recent progress with large-scale ab initio calculations: the CONQUEST code, Phys. Stat. Sol. (b), 243 (2006), 989-1000.

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