Bringing Computational Materials Science to Exascale
Exascale computing will have a profound impact on everyday life
in the coming decades. At 1018 operations per second, exascale
supercomputers will be able to quickly analyze massive volumes of data and
more realistically simulate complex processes. The goal of the NOMAD Center
of Excellence is to bring computational materials science to the next level
of supercomputing. The NOMAD CoE assesses and exploits the characteristics
of extreme-scale data and exascale computing for computational materials
science, to enable investigations of systems of higher complexity (space and
time), consideration of metastable states and temperature, and all this at
significantly higher accuracy and precision than what is possible today.
Systematic studies and predictions of novel materials to solve
urgent energy, environmental, and societal challenges require such
significant methodological advancements targeting the upcoming exascale
computers. Key NOMAD examples are catalytic water splitting for hydrogen
production and the transformation of waste heat into useful electricity.
NOMAD Encyclopedia of
Materials
NOMAD Repository of
Computational Data
NOMAD Encyclopedia of
Materials