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) and UCL. 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 ab initio tight binding up to full DFT with plane wave accuracy. It is capable of operation on a range of platforms from workstations up to high performance computing centres. These web pages contain information on the code, and its applications, as well as separate areas for developers.

We have recently written a comprehensive review of O(N) methods, which you can find here (external link).

You can find out more about Conquest in these pages:

Recent News
  • GramicidinA (2013-09-04 - 11:18): A Conquest study of the gramicidinA ion channel has been accepted for publication in J. Roy. Soc.:Interface (preprint). The study uses exact diagonalisation to assess ...
  • LinearScalingReview (2013-07-26 - 09:25): A review of linear scaling methods, including Conquest, written by DavidBowler and TsuyoshiMiyazaki has been published in Rep. Prog. Phys. A preprint is available ...
  • DeltaSCF (2013-07-26 - 09:19): The delta self consistent field method is now available in Conquest, added by DavidBowler and UmbertoTerranova. The code has been committed as r161, and full details ...
  • MolecularDynamics (2013-07-26 - 09:12): MichiakiArita and TsuyoshiMiyazaki have successfully adapted Conquest so that molecular dynamics is possible. In recent tests they have shown that picoseconds of linear ...
  • ExactExchange (2013-07-26 - 08:42): DavidBowler and LionelTruflandier have successfully implemented parallelised exact exchange in Conquest, which can be made linear scaling by application of a cutoff ...

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-- DavidBowler - 2013-07-26



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