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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".

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".

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".

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".

Thumbnail of 11: David Ceperley - Quantum Monte Carlo methods in the continuum

11: David Ceperley - Quantum Monte Carlo methods in the continuum

David Ceperley (University of Illinois Urbana-Champaign, USA) will give a lecture on "Quantum Monte Carlo methods in the continuum", in what will be the 11th event in the series "Classics in molecular and materials modelling" hosted by CECAM and MARVEL.

Thumbnail of 39: How the future of science may look: AI and autonomous laboratories for materials synthesis.

39: How the future of science may look: AI and autonomous laboratories for materials synthesis.

39th NCCR MARVEL Distinguished Lecture will be given by Prof. Gerbrand Ceder (University of California, Berkeley). He will be presenting a lecture entitled: 'How the future of science may look: AI and autonomous laboratories for materials synthesis'.

Thumbnail of 40: Realizing Schrödinger's dream with AI-enabled molecular simulations

40: Realizing Schrödinger's dream with AI-enabled molecular simulations

40th NCCR MARVEL Distinguished Lecture will be given by Prof. Alexandre Tkatchenko, University of Luxembourg. He will be presenting a lecture entitled: "Realizing Schrödinger's dream with AI-enabled molecular simulations".

Thumbnail of Science and Diplomacy

Science and Diplomacy

In these complex times, the theme of Science and Diplomacy is of utmost relevance. We plan to address it from points of view that include education and scientific exchange in developing countries, the potential of computational science as a facilitator for diplomacy, actions of international institutions promoting peace and disarmament, and the management of cooperative research infrastructures in problematic areas.