NOMAD Laboratory
NOMAD Centre of Excellence

Bringing computational materials science to exascale

The NOMAD CoE aims at assessing and exploiting the characteristics of next generation HPC for ab initio computational materials science, to enable investigations of systems of higher complexity (space and time), consideration of metastable states and temperature, and all this at significantly higher accuracy and precision than what is possible today.

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

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Feb 17, 2021

Symposium "Frontiers of Electronic-Structure Theory: Focus on Electron-Phonon Interactions"

Matthias Scheffler and Claudia Draxl are organizing the Symposium "Frontiers of Electronic-Structure Theory: Focus on Electron-Phonon Interactions" at the Virtual DPG-Frühjahrstagung (DPG Spring Meeting) of the Surface Science Division together with Feleciano Giustino.

This 2 x 2-hour event will provide a forum to report on the most recent developments in the field. It will feature 4 invited talks by authoritative experts. One of them provided by the NOMAD PI Xavier Gonze (Renormalization of electronic energies: predominance of non-adiabatic effects and other outcomes of a polaronic approach)

These invited talks are complemented by a panel discussion with all organizers and the 4 invited speakers of our symposium: Xavier Gonze, Ion Errea, Nicole Benedek, and Fabio Caruso. The panel discussion takes place on March 2, at 4:15 pm CET via zoom and is open everyone. A registration at the DPG spring meeting is not required for the participation at the panel discussion. Please join via Zoom:

ID: nomad.common.room

Passcode: NOMAD


We also encourage you to already submit any open question or topic that should be discussed there! Please send your questions via e-mail to: scheffler@fhi.mpg.de. Additionally, you will have the chance to ask your questions live during the discussion.