This page provides a list of the most recent publications generated by PSDI. This collection, hosted on Zenodo, contains reports and other outputs from our research and videos from our events where speakers have given permission for them to be made publicly available. Each of the publications below has a DOI link directly to the file on Zenodo or the whole collection can be accessed via the following link: https://zenodo.org/communities/psdi/
Zenodo Library:
- Pearman-Kanza, Samantha, Partridge, Matthew. (August, 2026). ELNS IN CHEMISTRY - From Implementation to Sustainable Stewardship (Version 1.04). Zenodo. https://doi.org/10.5281/zenodo.22014573
- Tzaras, Dimitrios-Ioannis, Beaver, Grace E., Thorne, Jazmine T., Marris, Katherine E., Ryder-Mahoney, Daniel J., Perry, Gregory J. P., Bloodworth, Sally. (August, 2026). Data to accompany the manuscript: Standard reporting of the uncertainty in reaction yield applied to a CO2 transfer reaction. Zenodo. https://doi.org/10.5281/zenodo.21825848
- Nieva de la Hidalga, Abraham. (August, 2026). Example code for Processing RO-Crates (Version 0.1). Zenodo. https://doi.org/10.5281/zenodo.21790543
- Pearman-Kanza, Samantha. (July, 2026). A Whole New Lab: Exploring ELNs and Digital Transformation. Zenodo. https://doi.org/10.5281/zenodo.21771992
- Bailey, Josh, O'Connor, Hugh. (June, 2026). Open Repositories for Chemistry and Energy Systems - Engaging the flow battery community to raise electrochemical testing standards - PSDI Webinar. Zenodo. https://doi.org/10.5281/zenodo.21700990
- Pearman-Kanza, Samantha. (June, 2026). FAIRness Starts at the Point of Creation: How to Implement Electronic Lab Notebooks to Support FAIR Practices. Zenodo. https://doi.org/10.5281/zenodo.21035953
- Pearman-Kanza, Samantha. (June, 2026). Experiences with ELN Deployment, Adoption and Interoperability. Zenodo. https://doi.org/10.5281/zenodo.21028257
- Nieva de la Hidalga, Abraham, Liborio, Leandro, Austin, Patrick, Perez Ponce, Hector, Tykhonov, Vyacheslav, Lungley, Deidre, Richard, Stephen, Kubin, Markus, Görzig, Heike, Hodson, Simon, Gregory, Arofan, Krahl, Rolf, Heikkurinen, Matti, Catlow, Richard. (June, 2026). Supporting large scale XAS data processing, analysis, and FAIR publishing with scientific workflows (Version 1.0.13). Zenodo. https://doi.org/10.5281/zenodo.21026082
- Nieva de la Hidalga, Abraham, Liborio, Leandro, Austin, Patrick, Perez Ponce, Hector, Tykhonov, Vyacheslav, Lungley, Deirdre, Richard, Stephen, Kubin, Markus, Görzig, Heike, Hodson, Simon, Gregory, Arofan, Krahl, Rolf, Heikkurinen, Matti, Callow, Richard. (June, 2026). Improving XAS data FAIRness. Zenodo. https://doi.org/10.5281/zenodo.20559296
- Zollner, Malin. (May, 2026). High-Quality Scientific Data Resources - When TD-DFT Fails: BenchmarkSet1500, a Multireference Excited-State Dataset for Organic Semiconductor Discovery - PSDI Webinar. Zenodo. https://doi.org/10.5281/zenodo.20539210
- Pearman-Kanza, Samantha. (May, 2026). ELNs Don't Make Data FAIR — but Your Implementation Can Bring the FAIRy Tale to Life. Zenodo. https://doi.org/10.5281/zenodo.20424896
- Knight, Nicola. (May, 2026). Lessons learnt from the physical sciences - a PSDI keynote at the BioFAIR showcase 2026. Zenodo. https://doi.org/10.5281/zenodo.20289230
- Kermode, James. (April, 2026). AI Driven Materials Discovery Tools - Universal Hyper-Active Learning for Machine Learning Interatomic Potentials - PSDI Webinar. Zenodo. https://doi.org/10.5281/zenodo.20273802
- McCallum, Peter, Garcia, Susana. (April, 2026). AI Driven Materials Discovery Tools - MOFevaluator: A Cloud-Based Platform for Process-Informed Discovery of MOF for Carbon Capture and Beyond - PSDI Webinar. Zenodo. https://doi.org/10.5281/zenodo.20273806
- Pearman-Kanza, Samantha. (May, 2026). The ELN Quest: What we discovered on the road to implementation. Zenodo. https://doi.org/10.5281/zenodo.20156795
- Jasinska, Agnes, Bruno, Ian, Dingle, Cian. (May, 2026). Enabling Best Practices in Research Data Curation in Physical Sciences: Recommendations on the Role for PSDI. Zenodo. https://doi.org/10.5281/zenodo.20119004
- Nieva de la Hidalga, Abraham, Gregory, Arofan, Görzig, Heike, Liborio, Leandro, Kubin, Markus, Austin, Patrick, Krahl, Rolf, Hodson, Simon, Tykhonov, Vyacheslav. (April, 2026). CDIF-4-XAS: Describing X-Ray Spectroscopy Data for Cross-Domain Use. Zenodo. https://doi.org/10.5281/zenodo.20100466
- Kalayan, Jas. (April, 2026). BioSimDR: A Collection of Data Tools and Infrastructure for Biomolecular Simulation - A PSDI Webinar. Zenodo. https://doi.org/10.5281/zenodo.19946899
- Willoughby, Cerys. (April, 2026). Accessibility in a physical sciences data infrastructure: Challenges and metadata-driven opportunities (PSDI). Zenodo. https://doi.org/10.5281/zenodo.19483835
- Pearman-Kanza, Samantha. (March, 2026). One does not simply "Adopt" an ELN. Zenodo. https://doi.org/10.5281/zenodo.19239360