Programme
Day 1
| Time | Title | Speaker |
|---|---|---|
| 11:00 - 11:10 | Welcome & housekeeping | Hosts |
| 11:10 - 11:25 | Introduction to PSDI | Wenkai Zhang |
| 11:25 - 11:50 | PSDI Metadata and Cross-search | Aileen Day |
| 11:50 - 12:20 | Materials knowledge and data representation with a European ontology ecosystem | Gerhard Goldbeck |
| 12:20 - 12:45 | CDIF-4-XAS a semantic framework to facilitate XAS data interoperability | Abraham Nieva de la Hidalga |
| 12:45 - 12:55 | Quick-fire panel: Metadata and Standards | Session 1 speakers |
| 13:00 - 13:50 | Lunch | |
| 14:00 - 14:35 | PSDI Services | Vasily Bunakov |
| 14:35 - 15:00 | Repository Infrastructure and Reproducible Polymer Data | Izzy Cooley & Weiling Wang |
| 15:00 - 15:25 | datalab: Decentralized materials research data management, curation & dissemination for accelerated discovery | Matthew Evans |
| 15:30 - 15:45 | Coffee break | |
| 15:45 - 16:15 | NOMAD: An Extensible Ecosystem for FAIR Research Data Management | Pepe Márquez |
| 16:15 - 16:45 | Magres Database for the solid-state Nuclear Magnetic Resonance (NMR) community | Sathya Sai Seetharaman |
| 16:45 - 17:00 | Quick-fire panel 2: Electronic research tools and automation | Session 2 speakers |
| 17:00 - 17:50 | Group discussions and outcomes | All participants |
| 17:50 - 18:00 | Close Day 1 |
Day 2
| Time | Title | Speaker |
|---|---|---|
| 09:00 - 09:10 | Welcome & housekeeping | Hosts |
| 09:10 - 09:35 | Reproducibility in Catalysis Research with Managed Workflows and RO-Crates | Patrick Austin |
| 09:35 - 09:50 | MatFlow: A Python API for computational materials science workflows | Stavrina Dimosthenous & Aman Goel |
| 09:50 - 10:00 | Quick-fire panel 3: Workflows tools and reproducibility | Session 3 speakers |
| 10:00 - 10:25 | Data to Knowledge for Machine Learning Interatomic Potentials | Alin Elena |
| 10:25 - 10:45 | TopoStats: an open-source Python toolkit for analysis of AFM images | Sylvia Whittle & Laura Wiggins |
| 10:45 - 10:50 | Short coffee break | |
| 10:50 - 11:05 | Data Driven Materials Design | Keith Butler |
| 11:05 - 11:35 | General learning of Electric Response in Inorganic Materials | Bradley Martin |
| 11:35 - 11:55 | Harnessing Large Language Models to Extract Complex Concentrated Alloy Properties from Scientific Literature for Materials Science and Engineering | Joshua Berry |
| 11:55 - 12:10 | DIAMOND: Accelerating Materials Innovation through Data, Code, and AI A French Initiative to Build the Next-Generation Materials Discovery Platform | Martin Uhrin |
| 12:10 - 12:20 | Quick-fire panel 4: Data-driven applications and machine learning | Session 4 speakers |
| 12:20 - 13:00 | Lunch | |
| 13:00 - 13:15 | PSDI Cross-search demo | Mehmet Giritli |
| 13:15 - 14:00 | Group discussion & Close | All participants |