
NOMAD Center of Excellence (CoE) leverages next-generation exascale high-performance computing (HPC) to advance ab initio computational materials science. It enables investigations of complex systems with higher accuracy and precision by exploiting extreme-scale data and exascale computing capabilities. The CoE focuses on methodological advancements for exascale supercomputers to simulate complex processes and analyze massive data volumes, targeting urgent energy, environmental, and societal challenges such as catalytic water splitting for hydrogen production and waste heat transformation into electricity. Its work spans exascale codes, workflows, and big data analytics, supporting entire code families and advanced workflows to enable high-throughput and beyond-DFT computations. NOMAD CoE collaborates with academia and industry, providing open-source codes, libraries, and AI toolkits to the computational materials science community, positioning itself as a leading research center in exascale computational materials science.

NOMAD Center of Excellence (CoE) leverages next-generation exascale high-performance computing (HPC) to advance ab initio computational materials science. It enables investigations of complex systems with higher accuracy and precision by exploiting extreme-scale data and exascale computing capabilities. The CoE focuses on methodological advancements for exascale supercomputers to simulate complex processes and analyze massive data volumes, targeting urgent energy, environmental, and societal challenges such as catalytic water splitting for hydrogen production and waste heat transformation into electricity. Its work spans exascale codes, workflows, and big data analytics, supporting entire code families and advanced workflows to enable high-throughput and beyond-DFT computations. NOMAD CoE collaborates with academia and industry, providing open-source codes, libraries, and AI toolkits to the computational materials science community, positioning itself as a leading research center in exascale computational materials science.