FAIR-DI e.V.
FAIRmat
NOMAD Laboratory
NOMAD CoE
NOMAD Centre of Excellence

Bringing computational materials science to exascale

Apr 19, 2021     Congratulations! NOMAD PI Kristian Sommer Thygesen appointed as Villum Investigator
Mar 23, 2021     April 8, 2021: CECAM Session on Data Driven Science with an Overview Talk by Claudia Draxl
Feb 17, 2021     Symposium "Frontiers of Electronic-Structure Theory: Focus on Electron-Phonon Interactions"

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
  • Follow us on GitHub

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
  • Like to visit the NOMAD Laboratory and its services for up- and downloading, and exploring materials data? 
  • Watch our video tutorials to learn how to work with the AI toolkit