ArticleFaraday discussions2026
Digital infrastructure to support and share daily high-throughput experimental materials research.
Article in Faraday discussions, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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12 authors.
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Abstract
High-throughput and autonomous experimentation generate complex, heterogeneous datasets whose reuse, large-scale analysis, and linking to data from first-principles calculations remain challenging. Here, we report on an operational deployment of the open-source NOMAD Oasis data infrastructure as a digital backbone for daily high-throughput experimental work in a materials discovery group at DTU Nanolab. The customized platform supports the complete experimental workflow in a thin-film laboratory, linking physical inventory items, automated synthesis logs, high-throughput characterization data, and cloud-based analysis within a unified data model. The platform preserves full sample provenance across multi-step workflows and uses unified sample coordinates to enable direct cross-technique correlation. We demonstrate the capabilities of the platform on a combined experimental-computational project centered on phosphosulfide thin-film libraries. The data consists of 12 000 experimental samples acquired during routine operation over 18 months, complemented by more than 800 first-principles calculations - all managed in a unified data platform available at https://nomad.nanolab.dtu.dk/nomad-oasis/gui/search/combinatorial-samples. We show how an open, extensible data infrastructure system supports reproducible workflows, scalable analysis, and long-term data reuse.
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