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Electronic-structure simulations for user communities at large-scale facilities

PSI School 2025 - Electronic-structure simulations for user communities at large-scale facilities - Apr 3-9, 2025.



Modules 1 and 2 will provide an introduction to the fundamentals of electronic-structure methods, their current capabilities and limitations, highlighting which materials properties can be calculated, and with which accuracy.



Modules 3 and 4, with support from Dr. Miki Bonacci, Mr. Timo Reents, and Dr. Xing Wang (all from PSI LMS) and Dr. Andres Ortega-Guerrero (Empa) will be hands-on sessions where on-site participants will run simulations directly in the cloud via their browser using our AiiDAlab platform.

Datasets in the Collection

Thumbnail of Module 1: Fundamentals of electronic-structure theories: DFT and beyond
Module 1: Fundamentals of electronic-structure theories: DFT and beyond
Speaker: Prof. Nicola Marzari (EPFL/PSI)

First module of the 2025 PSI course "Electronic-structure simulations for user communities at large-scale facilities".
Owner: Roberto Bendinelli
Created on Apr 14, 2025
Thumbnail of Module 2: Predicting materials properties with electronic-structure simulations
Module 2: Predicting materials properties with electronic-structure simulations
Speaker: Prof. Nicola Marzari (EPFL/PSI)
Date: 4th April 2025

Second module of the 2025 PSI course "Electronic-structure simulations for user communities at large-scale facilities".
Owner: Roberto Bendinelli
Created on Apr 14, 2025
Thumbnail of Module 3: Practical guide to DFT simulations, and hands-on session on-premises and in the cloud
Module 3: Practical guide to DFT simulations, and hands-on session on-premises and in the cloud
Speaker: Dr. Giovanni Pizzi (PSI)
Date: 7th April 2025

Third module of the 2025 PSI course "Electronic-structure simulations for user communities at large-scale facilities".
Owner: Roberto Bendinelli
Created on Apr 14, 2025
Thumbnail of Module 4: Automated simulations for large-scale-facility applications
Module 4: Automated simulations for large-scale-facility applications
Speakers: Timo Reents (PSI), Miki Bonacci (PSI), Andres Ortega-Guerrero (Empa), Xing Wang (PSI), Giovanni Pizzi (PSI)
Date: 9th April 2025

Fourth module of the 2025 PSI course "Electronic-structure simulations for user communities at large-scale facilities".
Owner: Roberto Bendinelli
Created on Apr 14, 2025

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