MSE 2022
Keynote Lecture
28.09.2022 (CEST)
Robust, reliable, automated DFT simulations
MN

Prof. Dr. Marzari Nicola

EPFL

Marzari, N. (Speaker)¹
¹EPFL, Lausanne (Switzerland)
Vorschau
43 Min. Untertitel (CC)

I'll discuss our effort to provide the community with robust, reliable, and automated DFT simulations, in the quest to enable new computational groups and experimental users to access these powerful approaches in a seamless way. This also aims to shift the focus for training and education towards the power and limitations of electronic-structure simulations, rather than in the details and quirkiness of the many numerical and algorithmic implementations.

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