Pillar 1 - Exascale Codes
Extending the limits to previously inaccessible system sizes, materials complexity, accuracy and precision
NOMAD CoE study on the Design of Catalytic Oxid Materials by the AI Approach Subgroup Discovery accepted in Nature Communications
NOMAD CoE researchers Aliaksei Mazheika, Yanggang Wang, Luca Ghiringhelli and Matthias Scheffler together with a team of researchers from the University of Barcelona, Spain, and the Skolkovo Institute of Science and Technology, Moscow, Russia, have successfully applied the AI method subgroup discovery to identify "material genes" that can trigger, facilitate, or inhibit the activation of carbon dioxide (CO2) for chemical conversion.
You can find more details here.