Sixth FAIRmat Users Meeting

Session

Harnessing Data-Driven Methods in Materials Discovery

Jul 2, 2025, 9:00 AM

UFO (Ruhr-Universität Bochum)

7. FAIR Research Data Management with FAIRmat and NOMAD

Hampus Näsström (Humboldt-Universität zu Berlin, FAIRmat)

7/2/25, 9:00 AM

In this talk, I will present the latest developments of FAIRmat and the NOMAD ecosystem, emphasizing the critical aspects of FAIR research data management (RDM) in condensed-matter physics. The NOMAD ecosystem, which includes platforms such as NOMAD, NOMAD Oasis, and NOMAD CAMELS, provides a complete solution for an RDM framework tailored to the needs of the condensed-matter physics and...

8. Quantitative XPS Analysis Using Convolutional Neural Networks

Lukas Pielsticker (MPI for Chemical Energy Conversion)

7/2/25, 9:30 AM

X-ray photoelectron spectroscopy (XPS) is a powerful tool for studying the electronic structure and chemical composition of solid surfaces. Quantitative analysis of XP spectra typically relies on manual curve fitting by expert spectroscopists. However, recent advancements in the ease of use and reliability of XPS instruments have led to a growing number of (novice) users generating large...

9. Small-Data Models for Materials Design

Luca Ghiringhelli

7/2/25, 10:00 AM

The modeling of macroscopic properties of materials often require to accurately evaluate physical quantities at several time and length scales. Here we show how symbolic inference, i.e., the machine learning of simple analytical expressions that explain and generalize the available data, can effectively bridge physical scales. The focus is on learning models that are as simple as possible (but...