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NOMAD NEWS: over 100.000.000 calculations in a c ... (No replies)

2 months ago
claudia 2 months ago

Dear electronic-structure community, 🥂

With more than 100 million calculations with billions of datasets, the NOMAD Repository has broken a new record. These were created by billions of CPU hours invested at high-performance computer centers worldwide by around 40 different community codes. Missing codes will be added upon request in collaboration with the code developers.

We are also happy to announce that we recently released a new version of the NOMAD Repository & Archive. Searching and downloading of raw data and normalized data and uploading new data is now possible with a unified graphical user interface (GUI) and API. Just explore

NOMAD works in great synergy with the Materials Project, AFLOW, OQMD, and other important data stores of the field. It is now a key component of the association FAIR Data Infrastructure e.V. (

You are welcome to join NOMAD, upload your files, and tell us your experience! We are serving the whole community and like to improve.

Check out also our open positions see:

In addition, we are looking for code developers for developing exascale-ready libraries for the electronic-structure community (see above link for instructions on how to apply).

With best wishes,
Markus Scheidgen, Claudia Draxl, Matthias Scheffler, and the entire NOMAD team

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Ab initio (from electronic structure) calculation of complex processes in materials