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
New publication
Impact Article in the MRS Bulletin October 2022
published 19.09.2022
High-Throughput DFT Calculations will Guide the Development of Nanoengineered Brain Sensors
New tailored sensors measuring small electromagnetic fluctuations produced by active neurons could contribute to rapidly developing treatments for brain disorders.
published 04.07.2022
High-throughput workflows with ASR and MyQueue
New developments initiated at the NOMAD workshop on High-throughput workflows
published 28.03.2022