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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

Session

Room 2 Tutorials

29 Jul 2026, 12:00
2B.002 (Nancy Rothwell Building)

2B.002

Nancy Rothwell Building

Nancy Rothwell Building, The University of Manchester, Oxford Road, Manchester, M13 9PL

Presentation materials

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  1. 20. Querying remote materials data sources using the OPTIMADE API
    29/07/2026, 12:00
    Tutorial
    Tutorial (invited)

    In this tutorial we introduce the [OPTIMADE][1] API specification for querying and retrieving data from several [materials data providers][2].

    We begin in the browser and move to Python computational notebooks, introducing the [OPTIMADE Python tools][3].

    Towards the end of the tutorial, time permitting, we introduce [marimo][4] as an alternative computational notebook to Jupyter notebook...

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  2. 6. How to use CrystaLLM-pi to predict crystal structures
    29/07/2026, 15:00
    Tutorial
    Tutorial (invited)

    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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