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Physical Sciences Data Infrastructure
PSDI Materials Community Workshop
16 - 17 June 2025
Royce Hub Building
Manchester, UK
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Royce
Programme
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Day 1 Abstracts
Abstracts
Reproducibility in Catalysis Research with Managed Workflows and RO-Crates
Patrick Austin
Science and Technology Facilities Council
2025-06-17 · 09:10 BST
Abstract
MatFlow: A Python API for computational Materials Science workflows
Stavrina Dimosthenous, Aman Goel
Henry Royce Institute, University of Manchester · University of Manchester
2025-06-17 · 09:35 BST
Abstract
Data to Knowledge for Machine Learning Interatomic Potentials
Alin Elena
Physical Sciences Data Infrastructure, Science and Technology Facilities Council
2025-06-17 · 10:00 BST
Abstract
TopoStats: an open-source Python toolkit for analysis of AFM images
Sylvia Whittle, Laura Wiggins
The University of Sheffield
2025-06-17 · 10:25 BST
Abstract
Data Driven Materials Design
Keith Butler
University College London
2025-06-17 · 10:50 BST
Abstract
General learning of Electric Response in Inorganic Materials
Bradley Martin
University College London
2025-06-17 · 10:55 BST
Abstract
Harnessing Large Language Models to Extract Complex Concentrated Alloy Properties from Scientific Literature for Materials Science and Engineering
Joshua Berry
The University of Sheffield
2025-06-17 · 11:35 BST
Abstract
DIAMOND: Accelerating Materials Innovation through Data, Code, and AI A French Initiative to Build the Next-Generation Materials Discovery Platform
Martin Uhrin
Université Grenoble Alpes
2025-06-17 · 11:55 BST
Abstract