MARVEL
MARVEL targets the accelerated design and discovery of novel materials, via a materials’ informatics platform of database-driven high-throughput quantum simulations.
The Space team has made the following datasets and collections publicly available. You must be a logged-in member of the Space to access all the datasets and collections.
Datasets
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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".
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".
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".
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".
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.
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'.
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".
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.
Collections
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PSI schools
Video recordings and educational materials from schools at the Paul Scherrer Institute (PSI), Switzerland.
Fireside chats for lockdown times
Video recordings and educational materials on computational materials science.
MARVEL events
Video recordings of MARVEL events (Distinguished Lectures, Tutorials) and CECAM-MARVEL events (Classics in molecular and materials modeling, Mary Ann Mansigh conversations).
Wannier90 schools
Video recordings and educational material from past schools on Wannier90.
AiiDA and Materials Cloud tutorials
This section contains a list of AiiDA and Materials Cloud tutorials. The most recent events are on top, while older events are at the bottom, which are kept for historical reasons.
The tutorials listed in this section are the ones for which videos were recorded. You can find the full list of tutorials (possibly with more recent events) at aiida-tutorials.readthedocs.io, together with the corresponding downloadable material. You can also check www.aiida.net for the latest news on tutorial events, or the Materials Cloud Youtube channel for more videos.
Quantum ESPRESSO schools
Video recordings and educational material from past schools on Quantum ESPRESSO.
The following datasets have been published through this Space and any affiliated Spaces.
Statistics
| Collections | 6 |
| Datasets | 211 |
| Files: | 288 |
| Bytes: | 54.4 GB |
| Users: | 4 |
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| Expiration Enabled: | empty |
| Time To Live (hours): | empty |