NOMAD Center of Excellence
is using next generation HPC for ab initio computational materials science to enable investigations of systems of higher complexity at higher accuracy and precision
Exascale Codes
- Bringing DFT, Green-function methods, and coupled-cluster theory to exascale
- Supporting entire code families, covering planewaves (PW), linearized augmented PWs, and atom-centred orbitals
- NOMAD demonstrator codes
Exascale Workflows
- Enabling exascale computations by advanced workflows
- Covering high-throughput computations and beyond-DFT workflows
- Learn how to work with ASE/ASR and FireWorks in this tutorial
Extreme-scale Data
- Advance the NOMAD AI Toolkit and bring it towards near-real-time performance
- Developing an infrastructure that enables efficient integration and use of data
- Watch our video tutorials to learn how to work with the AI Toolkit
Latest NOMAD CoE News
LUMI at full capacity helps research into new materials for solar cells, catalysts and quantum technology
published 18.12.2023
Using Artificial Intelligence to guide the high-throughput search for new materials
published 01.11.2023
When all details matter: Heat Transport in Energy Materials
published 27.06.2023