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
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
New publication
Impact Article in the MRS Bulletin October 2022
published 19.09.2022