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
Feb 10, 2021

Register now: Online course on "Heterogeneous Programming on GPUs with MPI & OmpSs"

The Barcelona Supercomputing Centre offers an online course on "Heterogeneous Programming on GPUs with MPI & OmpSs" for us. The course will take place during the 5 days of March 8-12, 2021 3:00 - 6:30 pm. Participation is free of charge and the registration is now open. Please find the registration form as well as more information regarding the detailed program of the course on this website: