MARVEL targets the accelerated design and discovery of novel materials, via a materials’ informatics platform of database-driven high-throughput quantum simulations, powered by
- advanced electronic-structure capabilities, for predictive accuracy
- innovative sampling methods to explore configuration/composition space
- application of big-data concepts to computational materials science
The search is focused on materials for energy harvesting, storage, and conversion, materials for information-and-communication technologies, and organic crystals/pharmaceuticals.
Codes, data and workflows of the project are disseminated through the Materials Cloud platform and the Quantum Mobile virtual machine, both powered by the materials' informatics framework AiiDA.
MARVEL is directed by Nicola Marzari and EPFL acts as the leading house, but the NCCR involves 25 principal investigators across 8 Swiss Institutions:
- the two Federal Institutes of Technology in Lausanne and Zurich (EPFL and ETHZ),
- two universities in Fribourg and Zurich (UniFR, UZH)
- the Swiss National Supercomputing Centre (CSCS)
- the research laboratories of IBM Zurich
- the two federal research institutes, the Paul Scherrer Institute (PSI), and the Swiss Federal Laboratories for Materials Science and Technology (Empa).
 Materials' revolution: Computational Design and Discovery of Novel Materials
 La révolution des matériaux: conception et découverte de nouveaux matériaux par la simulation
 Materialrevolution: Computerbasierte Entwicklung und Entdeckung neuer Materialien