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CONQUEST: Linear Scaling DFT

CONQUEST: Linear Scaling DFT. Welcome to the Conquest web site. Conquest is a linear scaling, or O(N), DFT electronic structure code developed jointly by NIMS (National Institute for Materials Science, Japan). The code is designed to perform DFT calculations on very large systems (containing tens of thousands, hundreds of thousands or even millions of atoms). It can be run at different levels of precision, ranging from. You can find out more about Conquest in these pages:. September 30, 2014).

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CONQUEST: Linear Scaling DFT | ordern.github.io Reviews

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CONQUEST: Linear Scaling DFT. Welcome to the Conquest web site. Conquest is a linear scaling, or O(N), DFT electronic structure code developed jointly by NIMS (National Institute for Materials Science, Japan). The code is designed to perform DFT calculations on very large systems (containing tens of thousands, hundreds of thousands or even millions of atoms). It can be run at different levels of precision, ranging from. You can find out more about Conquest in these pages:. September 30, 2014).

<META> KEYWORDS

1 and ucl

2 ab initio

3 external link

4 about conquest

5 conquest applications

6 conquest references

7 conquest developers

8 using conquest

9 external links

10 recent news

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and ucl,ab initio,external link,about conquest,conquest applications,conquest references,conquest developers,using conquest,external links,recent news,multi site support functions,molecular dynamics,gramicidin a,deltascf method,linear scaling review,links

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CONQUEST: Linear Scaling DFT | ordern.github.io Reviews

https://ordern.github.io

CONQUEST: Linear Scaling DFT. Welcome to the Conquest web site. Conquest is a linear scaling, or O(N), DFT electronic structure code developed jointly by NIMS (National Institute for Materials Science, Japan). The code is designed to perform DFT calculations on very large systems (containing tens of thousands, hundreds of thousands or even millions of atoms). It can be run at different levels of precision, ranging from. You can find out more about Conquest in these pages:. September 30, 2014).

INTERNAL PAGES

ordern.github.io

1

DeltaSCF method

http://ordern.github.io/blog/deltascf

The delta self-consistent field (DeltaSCF) method is now available in CONQUEST, added by David Bowler and Umberto Terranova. The code has been committed as r161, and full details have been published[1]. 1] J Comput. Theor. Chem. 9. 3181 (2013) DOI: 10.1021/ct400356k. This entry was posted on 2013/3/7. Laquo; Linear scaling review. Gramicidin A ». Page last generated on August 5, 2015.

2

About CONQUEST

http://ordern.github.io/about.html

This page gives a high level overview of the ideas underlying linear scaling codes, and Conquest in particular. Technical details of the Conquest code can be found in the CONQUEST References. Section of these web pages; a reprint giving details of recent Conquest developments is available here. Sparse matrices and parallel scaling. Sparse matrices and parallel scaling. The support functions ( phi {i alpha}( mathbf{r}) ) are represented in terms of basis functions: ( phi {i alpha}( mathbf{r}) = sum s c {i...

3

Linear scaling review

http://ordern.github.io/blog/linear-scaling-review

A review of linear scaling methods, including Conquest, written by DavidBowler and TsuyoshiMiyazaki has been published in Rep. Prog. Phys. 1] A preprint is available here. 1] Rep. Prog. Phys. 75. This entry was posted on 2012/2/26. DeltaSCF method ». Page last generated on August 5, 2015.

4

CONQUEST Developers

http://ordern.github.io/developers.html

Department of Physics and Astronomy and London Centre for Nanotechnology, UCL, London, UK. Computational Materials Science Centre, National Institute for Materials Science, Tsukuba, Japan. Institute For Molecular Simulations, University of Bordeaux I, Bordeaux, France. Page last generated on August 5, 2015.

5

Molecular dynamics

http://ordern.github.io/blog/molecular-dynamics

Michiaki Arita and Tsuyoshi Miyazaki of NIMS have successfully adapted CONQUEST so that molecular dynamics is possible. In recent tests they have shown that picoseconds of linear scaling MD can be performed with energy conserved. A paper is in preparation, and the first part of the code has been committed as r137. Update, 2014-11-11: The research has been published[1], and shows linear scaling up to 32,768 atoms. 1] J Chem. Theor. Comput. 10. 5419 (2013) DOI:10.1021/ct500847y. Laquo; Gramicidin A.

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CONQUEST: Linear Scaling DFT

CONQUEST: Linear Scaling DFT. Welcome to the Conquest web site. Conquest is a linear scaling, or O(N), DFT electronic structure code developed jointly by NIMS (National Institute for Materials Science, Japan). The code is designed to perform DFT calculations on very large systems (containing tens of thousands, hundreds of thousands or even millions of atoms). It can be run at different levels of precision, ranging from. You can find out more about Conquest in these pages:. September 30, 2014).

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