[Crib-list] Workshop on density-functional theory (MIT 9/15 and 9/16) //

[Shirley Entzminger]

DFTK WORKSHOP: MATHEMATICS AND NUMERICS OF DENSITY-FUNCTIONAL THEORY

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link: https://michael-herbst.com/teaching/2022-mit-workshop-dftk/ [1]


On  September 15th and 16th, 2022 Michael Herbst will host two
half-day sessions centred around the mathematics and numerics of
density-functional theory (DFT) at MIT.

With this workshop Herbst wants to provide a bridge  between simulation
practice and fundamental research in electronic-structure methods. It is
intended for both researchers with a background in mathematics or
computer science willing to be introduced to the numerical aspects of
electronic-structure calculations, as well as physicists or chemists
interested in modern software development methodologies and the
mathematical background of DFT.

On the first day we will discuss the methodology underpinning modern DFT
approaches and on the second day conduct numerical experiments and
simulation exercises in hands-on sessions. For the latter participants
will be introduced to DFTK, an accessible (less than 7000 lines) DFT
code equipped with state-of-the-art performance to treat systems with
1000 electrons.

It is possible to only attend one of the two sessions.

	DAY
	TIME
	SESSION

	Th 9/15
	09:00 - 13:00
	Mathematical background of DFT

	Fr 9/16
	09:00 - 13:00
	Hands-on session: DFT solution algorithms and DFTK

The sessions will take place in 33-116.

If you are interested please register here [2].

Links:
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[1] https://michael-herbst.com/teaching/2022-mit-workshop-dftk/
[2] https://terminplaner4.dfn.de/DX5fjOuQ9vjrTUl9