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CASTEP Workshop : Hands-on many body effects wit ... (No replies)

[email protected]
6 years ago
[email protected] 6 years ago

CASTEP Workshop : Hands-on many body effects with DMFT
Dates: Tuesday August 28 to Thursday August 30
Location: Oxford
Registration deadline: August 15th

Density functional theory, coupled with approximate exchange-correlation functionals, has been remarkably successful in calculating materials properties. The CASTEP software package is a DFT implementation which scales to the largest supercomputers and has a large feature set. However DFT gives limited accuracy, and for some materials is qualitatively incorrect, especially when electronic correlations are strong. This workshop will introduce CASTEP's extension beyond DFT to include DMFT, which describes strong correlations on transition metal atoms. We will showcase CASTEP's new DMFT functionality with both theoretical background and hands-on tutorials. The workshop will also include keynote talks from researchers working in the field of strongly correlated materials. Discussion sessions will allow opportunities for modelers working with CASTEP to engage with specialists from UK national research facilities and universities.

To apply, write to [email protected] with your name, affiliation, academic background, and your interest in and experience with DFT, DMFT, GW, and strongly correlated systems.

 




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Ab initio (from electronic structure) calculation of complex processes in materials