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

Viewing most recent datasets View All Datasets

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.

Collections

Viewing most recent collections View All Collections

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.

Filter by:

Statistics

Collections 6
Datasets 211
Files: 288
Bytes: 54.4 GB
Users: 4

External Links

Access

PUBLIC

Advanced Configuration

Expiration Enabled: empty
Time To Live (hours): empty