Sixth FAIRmat Users Meeting

Session

Poster Session & Meet Our Experts

Jul 2, 2025, 3:30 PM

UFO (Ruhr-Universität Bochum)

12. Extending NOMAD parsers for some codes used in the UMIL NFFA-DI Theory&Simulation Installation

In this poster I am presenting the work we are performing at the UMIL Operative Unit (OU) of the NFFA-DI project on extending the functionalities of some of the NOMAD parsers for computational materials science codes.
The NFFA-DI project (Nano Foundries and Fine Analysis - Digital Infrastructure, nffa-di.it [1]) aims at building an italian distributed Research Infrastructure (RI) for...

10. FAIR data management for computational materials science using NOMAD

J.F. Rudzinski, E. Boydas, N. Daelman, M. Kuban, and B. Mohr

Physics Department and CSMB Adlershof, Humboldt-Universität zu Berlin

NOMAD [nomad-lab.eu] [1] is an open-source, community-driven data infrastructure, focusing on materials science data. The NOMAD software [nomad-lab.eu] can automatically extract data from the output of over 60 simulation codes, has been extensively expanded...

16. HZB’s Tailored Digital Lab Workflows Towards AI-ready Datasets

Dr Ana Velazquez (Helmholtz-Zentrum Berlin (HZB)), Carla Terboven (Helmholtz-Zentrum Berlin (HZB))

Digital transformation in experimental Science is driven by efficient data management and workflow integration across all processes, from sample synthesis to specialized measurements, allowing for structured, machine-readable, AI-ready datasets that are aligned with FAIR principles.
At HZB, we focus on driving a paradigm shift by supporting the transition from analog workflows to seamless...

13. Making FAIR Data Work in the Lab: How NOMAD Is Changing the Game

Research labs generate vast amounts of data capable of unlocking new opportunities in materials science when analyzed with specialized algorithms, yet most remains trapped on local data silos without contextual metadata, inaccessible for advanced analysis. At Helmholtz Zentrum Berlin, we developed a suite of Python applications that motivate scientists to actively use the NOMAD workflow. Our...

11. RefXAS: XAS reference database under DAPHNE4NFDI

Abstract
With rapid increase in the advance beamline set ups across Synchrotron facilities for time-resolved as well as space resolved measurements and availability of laboratory-based spectrometers optimized for day to day measurements, X-ray Absorption Spectroscopy (XAS) has become a standard approach for the structural characterisation of complex materials. With the growing volume of...