NOMAD DTU Nanolab Plugin

Read full text
Authors: Lena Angelika Mittmann, Hampus Näsström, Eugene P. Bertin, Sarthak Kapoor, Inês Diogo, Anat Itzhak, Alba Pérez Millan, Giulia Dalmonte, Malthe Emil Skytte, Andrea Crovetto, José A. Márquez
Cited by: 0

Abstract

The NOMAD DTU Nanolab Plugin is a plugin for the NOMAD software that provides a comprehensive data management infrastructure for high-throughput combinatorial materials discovery workflows. Developed for the Materials Discovery group at DTU Nanolab, this plugin implements FAIR data principles (Findable, Accessible, Interoperable, Reusable) for the entire experimental lifecycle from synthesis to characterization. The plugin specializes schemas, from the nomad-material-processing and nomad-measurements plugins, organized into entities (samples, substrates, targets, instruments, gases) and activities (synthesis processes, characterization measurements, and computational analyses). It enables systematic capture and linkage of data from multi-target sputtering deposition, rapid thermal processing, and high-throughput characterization techniques including XRD, XPS, EDX, photoluminescence, ellipsometry, Raman spectroscopy, and resistivity-temperature measurements. The data model follows Basic Formal Ontology principles to ensure consistent organization, automatic provenance tracking, and seamless workflow integration. By mapping composition gradient libraries with position-based sampling, the plugin facilitates accelerated exploration of novel semiconductor materials for sustainable energy applications including photovoltaics and transparent conductors.

Fields of Study & Subjects

Machine Learning in Materials Science Research Data Management Practices Scientific Computing and Data Management

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
29 January 2026