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PSDI & Royce Materials Data Summit

29–31 Jul 2026
Nancy Rothwell Building, University of Manchester, Manchester, UK
Europe/London timezone

Conference organisers

Contribution List

19 out of 19 displayed
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  1. 4. Data analysis workflows, reproducibility and sharing with RO-Crate in Materials Galaxy
    29/07/2026, 12:00
    Tutorial
    Tutorial (invited)
    Room 1 Tutorials

    This tutorial introduces the Research Crate Object (RO-Crate), Galaxy and reproducible workflows in Materials Science. We begin with RO-Crate and applications in research, narrowing the scope to Materials. Moving to the practical element of the tutorial, we demonstrate usage of RO-Crates by reproducible workflows on the Galaxy platform with Materials Galaxy where participants will create, run,...

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  2. 20. Querying remote materials data sources
    29/07/2026, 12:00
    Tutorial
    Tutorial (invited)
    Room 2 Tutorials

    Schedule TBA

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  3. 5. Automated nanoparticle segmentation of TEM images and generation of synthetic databases with TEMPOS
    29/07/2026, 15:00
    Tutorial
    Tutorial (invited)
    Room 1 Tutorials

    This hands-on tutorial introduces TEMPOS, an open-source platform for automated nanoparticle segmentation and morphometric analysis in TEM images. Participants will learn how to install and run TEMPOS, apply the pre-trained Mask R-CNN model to their own micrographs, interpret per-particle outputs (size, shape descriptors, spatial distributions), and...

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  4. 23. From Data Silos to Linked Research Workflows: Hands-on with OpenSemanticLab and OO-LD
    29/07/2026, 15:00
    Tutorial
    Tutorial (invited)
    Room 3 Tutorials

    This hands-on tutorial introduces OpenSemanticLab (OSL) as an integrated OpenSource platform for research data management, combining ELN, LIMS, and workflow support. Participants will learn how to model data using Object-Oriented Linked Data (OO-LD) and build simple linked data applications using Python and LLM integration.

    This tutorial is split in 3 parts.

    • Part 1: A single...
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  5. 6. How to use CrystaLLM-pi to predict crystal structures
    29/07/2026, 15:00
    Tutorial
    Tutorial (invited)
    Room 2 Tutorials

    Full title: How to use CrystaLLM-pi to predict crystal structures with desired functional properties, or matching experimental data and adapt the model to your own data

    In this tutorial, we will cover how the user can load up and make predictions with pre-packaged deep learning models to generate materials structure with a target...

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  6. 28. Machine learning for materials science: A bittersweet lesson
    Keith Butler
    30/07/2026, 10:15
    Talk (invited)
    Keynote talk
  7. 24. Introduction to the Physical Sciences Data Infrastructure
    Brian Matthews
    30/07/2026, 11:25
    Talk (invited)
    Invited talks
  8. 25. Introduction to segmenting TEM images via machine learning and synthetic data
    Andrew Stewart (University College London)
    30/07/2026, 11:55
    Tutorial (invited)
    Invited talks
  9. 21. Large Language Model Agents for Materials Research Workflows
    30/07/2026, 12:25
    Talk (invited)
    Invited talks

    Large language models (LLMs) are emerging as a new interface between researchers, scientific data, and computational tools. In materials science, they offer opportunities to simplify access to complex workflows, accelerate data-driven research, and support inverse materials design. However, the reliability and scientific utility of LLMs depend critically on the availability of standardized...

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  10. 26. TBA
    Christoph Eberl
    30/07/2026, 15:40
    Talk (invited)
    Invited talks
  11. 27. TBA
    Samantha Pearman-Kanza
    30/07/2026, 16:10
    Talk (invited)
    Invited talks
  12. 22. People are infrastructure: the strategic case for open simulation science.
    31/07/2026, 10:10
    Talk (invited)
    Keynote talk

    Scientists and policymakers have learned how to make long-term strategic investments in singular physical infrastructures. Particle accelerators, fusion reactors and space telescopes are conceived, built and operated through coordinated programmes spanning decades. Such investments are essential to scientific health, whether they are curiosity-driven or their societal returns lie far in the...

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  13. 29. (StC) Digital transformation at Royce
    Stuart Kitney
    31/07/2026, 10:55
    Talk (invited)
    Invited talks
  14. 30. TBA
    Robert Quarshie
    31/07/2026, 11:50
    Talk (invited)
    Invited talks
  15. 31. TBA
    Jesper Friis
    31/07/2026, 12:20
    Talk (invited)
    Invited talks
  16. 32. TBA
    31/07/2026, 15:00
    Talk (invited)
    Invited talks
  17. 19. ICAT: metadata cataloguing for scientific facilities
    Patrick Austin (STFC)
    31/07/2026, 15:30
    Talk (invited)
    Invited talks

    ICAT is a flexible solution for managing scientific metadata and data from a wide variety of domains following the FAIR data principles. In addition to the core service providing relational models for scientific and administrative metadata, there are a number of additional components that extend the functionality to provide web-based user interfaces, DOI minting and landing pages, plugin-based...

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  18. 35. Applications of Galaxy workflows at STFC
    Patrick Austin (STFC)
    Poster (invited)

    There are a broad range of activities and processes that can be described as computational workflows, and perhaps an even broader range of software to manage these workflows. At STFC, one solution in use is Galaxy, a web-based workflow management platform with a focus on reproducibility and provenance tracking.

    Despite originating in the Bioinformatics community, Galaxy is domain agnostic...

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  19. 33. TBA
    Patrick Austin (STFC)
    Talk (invited)
    Invited talks