Preparing electronic-structure theory for the exascale

With the upcoming deployment of (pre-)exascale high-performance computers, the computational materials science community is facing several challenges. Nonetheless, harvesting this huge amount of computational power enables urgently needed opportunities. Together with the MPCDF and several European partners, the NOMAD Laboratory of the FHI has initiated, installed, and is leading the NOMAD Center of Excellence (CoE) to enable the next generation of electronic-structure calculations. Key items of the NOMAD CoE are extreme-scale data and exascale computing