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
Mar 10, 2017

NOMAD Encyclopedia Coding Parties

Development of the NOMAD Encyclopedia is a complex task that requires an interdisciplinary team of people, with expertise in physics, chemistry, materials science, computer science, software engineering, user experience and web design. To effectively develop the Encyclopedia, face-to-face meetings and team-work are crucial. And the work should be enjoyable too!

So, we had a Coding Party at the Humboldt University of Berlin (HUB). From 09 - 13 Jan 2017, we programmed together and fine-tuned the Encyclopedia. The party was extremely fruitful, so we decided to have similar meetings more often. A second Coding Party was held 06 - 09 March 2017, again at HUB. During this second event, the team also visited the Fritz Haber Institute, meeting NOMAD Archive and Analytics developers and planning future interactions between the Archive, Analytics and Encyclopedia teams.

Coding together

Meeting of Archive, Analytics and Encyclopedia Teams