Research database

The spoke Materials & molecular sciences aims to: Strengthen the Italian leadership on a global scale in the development, implementation, maintenance, and free dissemination of key enabling software technologies for the multi-scale simulation of materials and molecular systems; Optimise and enhance the scope of existing high-performance computer codes, to stay at the leading edge of the main scientific, industrial, and societal challenges in our country, in the fields of materials and molecular sciences; Enable the optimal access to the HPC infrastructure of the National Centre, for the good of the entire national research community, with emphasis on the transition to heterogeneous energy-savvy hardware architectures, based on specialised processing units and aimed at exascale performance; Steer the efforts of Italian materials and molecular modelling communities towards the key enabling technologies identified by the PNRR.