A firmer basis for the reliability claims of solid-state density-functional theory 

AI powereD characterization and modelling for GREEn STeel technology

Coping with Po in a Pb-Li breeding blanket for nuclear fusion: insight from quantum simulations

DIGISER++: DIGImet Technology SERvices for Copper production waste treatment

e-synergy

Exploring the crystal structure of the Earth’s inner core by Density Functional Theory and a genetic search algorithm

High-performant non-oriented electrical steels with a silicon content beyond today's limits : new materials for an electrified future.

Hydrogen Storage and Carriage as Opportunity for Renewable Energy Transition

Innovative and efficient solution, based on modular, versatile, smart process units for energy and resource flexibility in highly energy intensive processes

MAterials design at the eXascale. European Centre of Excellence in materials modelling, simulations, and design

MYRRHA Research and Transmutation Endeavour

Groundbreaking models for spectroscopy and charge transport in molecular dynamics simulations