NOMAD Laboratory

Brace 2: Artificial intelligence tools

Spokesperson: Luca Ghiringhelli
Deputy: Luigi Sbailo

The NOMAD Artificial-Intelligence (AI) Toolkit is a web-based infrastructure for the interactive analysis of the material-science FAIR data stored in the NOMAD Archive. By using Jupyter notebooks running in a web-browser (no software to be installed on the user side), the NOMAD-Archive data can be accessed and AI techniques such as data mining, machine learning, and more, can be applied to analyze them. This infrastructure brings the concept of reproducibility in materials science to the next level, by allowing researchers to share, besides the data contributing to their scientific publications, also all the analytics tools they have created, adapted, and applied for unveiling patterns in them and predicting properties of known, new, or even novel materials.
The Jupyter notebooks, all reachable via https://nomad-lab.eu/aitoolkit, span interactive tutorials reproducing the full AI workflow of recent landmark publications and shallow-learning-curve tutorials on textbook as well as recently developed AI techniques.