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 16, 2018

NOMAD at PRACE Spring School in Computational Chemistry 2018

Dr. Atte Sillanpää, CSC presented NOMAD - Online tools for materials science at the PRACE Spring School in Computational Chemistry 2018, on 15 March 2018.

The Spring School provided a comprehensive, tutorial-style, hands-on, introductory and intermediate-level treatment to the essential ingredients for molecular modeling and computational chemistry using modern supercomputers. The school program included introductory lectures and hands-on training in:

  • Classical molecular dynamics,
  • Electronic structure theory,
  • Machine learning in chemistry, and
  • Other special topics.

Graduate students attending the school received an overview on "what can be calculated and how should it be done", and had an opportunity to network with others in their field.

You can check out Atte's presentation here!