NOMAD Laboratory
NOMAD Centre of Excellence

Bringing computational materials science to exascale

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
Apr 19, 2021

Congratulations! NOMAD PI Kristian Sommer Thygesen appointed as Villum Investigator

The Danish VILLUM Foundation has appointed NOMAD PI Kristian Sommer Thygesen as Villum Investigator with a grant of 30 Mio DDK (4 Mio Euro) for the project “Data-Driven Discovery of Functionalized 2D Materials”.


Find out more here: