Seventh FAIRmat Users Meeting

Thursday Nov 20, 2025, 9:00 AM → 8:00 PM Europe/Berlin

2.049 (Center for the Science of Materials Berlin (CSMB))

We are pleased to announce the seventh FAIRmat Users Meeting, which will take place in Berlin on November 20, 2025.

The FAIRmat Users Meeting is a central event for scientists and data stewards in physics, chemistry, and materials science who are passionate about research data management (RDM) and its role in accelerating scientific discovery.

The program will begin with updates from FAIRmat and NOMAD, followed by a series of user talks showcasing practical applications. Speakers will share their experiences and best practices for using the NOMAD data infrastructure to manage, share, and analyze research data.

In the afternoon, two hands-on workshops will guide participants through the basics of getting started with NOMAD, data structuring, and role-based usage. Topics will range from basic GUI functions to plugin development and NOMAD Oasis administration.

The day will conclude with the Users-Meet-Developers exhibit. This open forum will offer participants the opportunity to showcase their work, exchange ideas, and interact directly with NOMAD developers and FAIRmat experts. Users interested in presenting and discussing their RDM workflows with NOMAD, uploaded datasets, developed plugins, custom schemas, data analysis tools, or other related solutions are invited to indicate this in the registration form.

Whether you are an experienced NOMAD user or are just beginning your RDM journey, this meeting will provide you with practical skills, new insights, and valuable networking opportunities.

We look forward to a day of stimulating discussions, hands-on sessions, and community building!

Users_Meeting_booklet.pdf

Workshops Slides/Materials Getting Started with NOMAD Role-Based_Tutorials_Users_Meeting_20.11.2025+Links-Only.pdf

9:00 AM → 12:00 PM FAIRmat and User Talks

9:00 AM FAIRmat and NOMAD: Recent Updates and Emerging Use Cases

This talk will provide an overview of recent developments in FAIRmat and the NOMAD platform, highlighting advances in research data infrastructure for materials science. I will present features and updates to the NOMAD ecosystem focused on enhancing data sharing, interoperability, and analysis, and illustrate their application through selected experimental and computational use cases. The talk will also introduce our ongoing efforts to support user communities and integrate FAIR principles across diverse research domains.

Speaker: José A. Márquez Prieto

9:25 AM NOMAD Data Management Workflow for Multidimensional Time-Resolved Photoemission Data

Recent integration of NeXus metadata search extends NOMAD's advanced data management capabilities to a wealth of experimental techniques based on standardized NeXus metadata schema. Here, I will give insight into our workflows for metadata collection, data conversion and NeXus standardization for time- and angle-resolved photoemission data. These are based on the NXmpes definition, and utilize comprehensive and flexible tools for NeXus standardization developed within FAIRmat. In addition, I will showcase data management within NOMAD OASIS, as well as online data analytics workflows enabled by comprehensive NORTH toolboxes.

Speaker: Laurenz Rettig

9:50 AM NOMAD Oasis for the Solid-State NMR Community

The talk outlines how a NOMAD Oasis has been adapted to support the data management needs of the UK’s solid-state NMR community. The speaker shares their experience of adapting to NOMAD's plugins and apps to extend the NMR schema, advance the parsing capabilities to accommodate domain-specific quantities while maintaining alignment with FAIR data principles. The presentation will reflect on lessons learned from integrating community-specific requirements within the framework, and how this experience can hopefully inform future developments for other materials data domains.

Speaker: Sathya Sai Seetharaman

10:15 AM Coffee Break

10:45 AM FAIR Data Management for Fabrication Processes. A Plugin as Implemented at CNR-IFN@TN

The discussion will focus on the development of a FAIR-by-design data environment for fabrication processes at the Trento facilities of CNR-IFN (Consiglio Nazionale delle Ricerche - Istituto di Fotonica e Nanotecnologie) and FBK (Fondazione Bruno Kessler). After presenting the starting point of the work, e.g. the existing management system and workflow used in Trento at the beginning of last year, we will discuss the solution developed to exchange and share data in a FAIR-compliant way. To this end, we will introduce an initial trial of an interoperable taxonomy for fabrication, developed in collaboration with ISMN (Istituto per lo studio dei materiali nanostrutturati) in Bologna.
In the second part, we will focus on the solution implemented to extend the metainfo capabilities of the NOMAD platform, and we will demonstrate how this extension is being used in a local instance of NOMAD currently running on the Trento servers. Furthermore, we will present the first steps toward including characterization techniques in the workflow. This newly implemented feature could also support laboratories that are not yet able to produce NeXus data, helping them convert raw experimental data into more broadly compatible data formats. Finally, we will present some examples and preliminary results.

Speaker: Matteo Bontorno

11:10 AM Extending NOMAD with Plugin and Metadata Support for EPR, NMR, and EFG

The talk outlines the activities and development of a NOMAD Oasis plugin for the parsing of QE-GIPAW NMR, EPR, and EFG data. The speaker will present the FAIRY-MAGIC project and the reasons why NOMAD Oasis was chosen as the development framework. The speaker will then share their experience in the development of the parser for NMR, EPR, and EFG, and the effort in the definition of an EPR schema, which has been integrated into the existing NMR metadata schema to ensure a unified representation of spectroscopic tensor quantities.

Speaker: Cecilia Zagni

11:35 AM Seamless Data to Discovery: Digitalizing Electrocatalysis with NOMAD

Catalysis research increasingly relies on digital tools to enhance efficiency, reproducibility, and collaboration. This presentation demonstrates how digitalization can transform catalysis research by integrating data science, experimentation, and advanced research data management. Using the example of the Investigator Group Oxygen Evolution Mechanism Engineering, we present a laboratory-scale approach to digital catalysis that leverages the NOMAD (Oasis) infrastructure to manage, analyze, and share research data. The first part introduces the scientific use case in electrocatalysis, capturing parts of a typical workflow of measuring physical properties of the sample, performing electrochemical measurements, checking the validity of those measurements and guiding the selection of further electrochemical measurement parameters by Bayesian optimization. Examples are shown and discussed for analysis of the electronic structure by X-ray absorption spectroscopy, benchmarking activity of electrodes performing oxygen evolution by water oxidation, statistical analysis of the potential reference in electrochemical cells and optimization of deposition parameters to improve electrochemical performance. The second part focuses on the technical implementation within the NOMAD Chemical Energy Oasis at HZB, where experimental conditions and results are seamlessly converted into machine-readable, FAIR data. By utilizing NORTH tools and combining multiple NOMAD entries, this approach enables systematic evaluation of electrocatalytic performance via a dedicated NOMAD Explore app. This example illustrates how seamless, user-oriented digital workflows emerge from the combined expertise of laboratory scientists and data stewards.

Speakers: Carla Terboven, Marcel Risch

12:00 PM → 1:00 PM Lunch

1:00 PM → 4:30 PM NOMAD Workshops

1:00 PM Getting Started with NOMAD for Materials-Science Research Data Management

In this hands-on workshop, you will learn how to efficiently search, filter, and explore data in NOMAD. We will guide you through managing, uploading, and sharing your research data, as well as steps to publish datasets with DOIs to guarantee accessibility and reusability. You will also gain practical experience using NOMAD’s ELN functionality to document your research. Please bring your laptop to participate in the interactive exercises.

Speaker: Siamak Nakhaie (Humboldt-Universität zu Berlin)

2:30 PM Coffee Break

3:00 PM Role-Based NOMAD Usage and Development

NOMAD now provides a broad ecosystem of data infrastructure software and tools, enabling robust data management at the individual, research group, and institutional levels. To navigate this ecosystem effectively, it is helpful to identify your role and intended use. In this tutorial, we will help you get started on the right path, whether you are an experienced user or completely new to NOMAD.

The tutorial is organized into several modules, allowing participants to choose and follow the topics at their own pace. Our trainers will be available throughout the session to provide individual support and guidance. The modules cover different aspects of the NOMAD ecosystem, from data organization and sharing to customization, automation, and local deployment.

Speaker: Joseph Rudzinski (Humboldt University)

4:30 PM → 6:00 PM Users-Meet-Developers Exhibit

7:00 PM → 8:00 PM Dinner