PSDI & Royce Materials Data Summit

Contribution List

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,...

6. How to use CrystaLLM-pi to predict crystal structures

29/07/2026, 14:30

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...

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...