iiinova — where your digital self keeps evolving

PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 29/09/2026

The Physical Sciences Data Infrastructure (PSDI) Showcase Event 2026 is here! Have you booked your place yet 👉 t.ly/iquN4 📅 Dates of Event: 25th November 2026 – 26th November 2026 🚨 Last Booking Date for this Event: 9th November 2026 🎟️ Event fee: £50.00

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 28/09/2026

Presentation by Dr Samantha Pearman-Kanza, PhD on "Building the Foundations for AI-Ready Science: Data, Knowledge and Digital Laboratories" for the AstraZeneca's Predictive Science, Digitalisation & Automation (PSDA) group 👉 t.ly/yp5o4

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The FAIR Elephant @thefairelephant.bsky.social · 28/09/2026

📣 News Digest #RDM in #NaturalScience Weeks 39, 2026! Today with @beilstein-institut.bsky.social, #MaRDI, @nfdi4earth.bsky.social and @psdi-uk.bsky.social. Enjoy reading. thefairelephant.com/news_digest_... #FAIRElepantNews #AI #ChemSky #RDM #ELN #ResearchDataManagement #AIready

News Digest RDM in Natural Science — Weeks 37, 2026. Topics: ML&AI, Services, ELNs. By The FAIR Elephant.

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 25/09/2026

In late August 2026, Dr Samantha Pearman-Kanza, had the opportunity to attend the 10th Chemical Sciences & Society Symposium on Data Science for Chemistry: t.ly/vFU_Q

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RSC-CICAG @rsc-cicag.bsky.social · 25/09/2026

Inside Analyticode 2026: From Robots to Reaction Models: www.rsccicag.org/index_htm_fi... (pg:49) Contribution from Iuliia Grytsai, Chris Swain, Nessa Carson

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 24/09/2026

We are delighted to announce that registration is now open for the PSDI Showcase 2026. 🎉 📅 25-26 November 2026 📍 Leonardo Royal Hotel Southampton 🎟️ Register now: t.ly/iquN4 See you there? 👋 Book your spot 👉 t.ly/rEL__

Registrations are open for the PSDI Showcase taking place on 25th and 26th November 2026.

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 21/09/2026

The PSDI, the @ccdc.cam.ac.uk, and the @digitalcuration.bsky.social are jointly hosting an online session focused on the role of PSDI in supporting best practices, and addressing challenges & opportunities, in data curation in physical sciences in the UK Register here: t.ly/48qJG

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The FAIR Elephant @thefairelephant.bsky.social · 21/09/2026

📣 News Digest #RDM in #NaturalScience Weeks 38, 2026! Today with @elabftw.bsky.social, @nfdi4chem.de, @nfdi4earth.bsky.social and @psdi-uk.bsky.social. Enjoy reading. thefairelephant.com/news_digest_... #FAIRElephantNews #RDM #AI #ChemSky #AIinChemistry #Ontology #ELN

News Digest RDM in Natural Science — Weeks 37, 2026. Topics: ML&AI, Teaching, ELNs. By The FAIR Elephant.

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 18/09/2026

Open Repositories for Chemistry and Energy Systems - Engaging the flow battery community to raise electrochemical testing standards - PSDI Webinar by Dr Josh J. Bailey and Hugh O'Connor Download the PDF here: t.ly/jSzwl

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 14/09/2026

Standard Reporting of the Uncertainty in Reaction Yield Applied to a CO2 Transfer Reaction 👉 t.ly/En5Jz Dimitrios-Ioannis Tzaras, Grace Beaver, Jazmine Thorne, Katherine Marris, Danny Ryder, Gregory Perry, Sally Bloodworth - School of Chemistry & Chemical Engineering, University of Southampton

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The FAIR Elephant @thefairelephant.bsky.social · 14/09/2026

📣 News Digest #RDM in #NaturalScience Weeks 37, 2026! Today with #DAPHNE4NFDI, @elabftw.bsky.social, @nfdi4earth.bsky.social, @psdi-uk.bsky.social, #PUNCH4NFDI, @researchspace.com. Enjoy reading! thefairelephant.com/news_digest_... #FAIRElephantNews #ELN #CitizenScience #RDM #FAIRdata

News Digest RDM in Natural Science — Weeks 37, 2026. Topics: Teaching, ELNs and Services. By The FAIR Elephant

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 11/09/2026

PSDI, the @ccdc.cam.ac.uk, and the @digitalcuration.bsky.social are jointly hosting an online session focused on the role of PSDI in supporting best practices, and addressing challenges & opportunities, in data curation in physical sciences in the UK 👉 t.ly/48qJG

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 08/09/2026

On 9th July 2026, PSDI hosted the forth session of the webinar series titled “High-quality‑ Scientific Data Resources” – “SimpNMR – a Tool for Ab initio-assisted analysis of #NMR data of paramagnetic metal complexes in solution“ 🔴 The full webinar is available on our YouTube channel: t.ly/OWh-1

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The FAIR Elephant @thefairelephant.bsky.social · 07/09/2026

📣 News Digest #RDM in #NaturalScience Weeks 34-36, 2026! Today with @fairmat.bsky.social, #NFDI4Cat, @nfdi4chem.de, @nfdi4earth.bsky.social, @psdi-uk.bsky.social. Enjoy reading. thefairelephant.com/news_digest_... #FAIRElephantNews #RDM #FAIRdata #Awards #OER #Training

News Digest RDM in Natural Science — Weeks 34-36, 2026. Topics: Teaching, Awards and Services. By The FAIR Elephant

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 02/09/2026

Standard Reporting of the Uncertainty in Reaction Yield Applied to a CO2 Transfer Reaction 👉 t.ly/En5Jz Dimitrios-Ioannis Tzaras, Grace Beaver, Jazmine T. Thorne, Katherine Elizabeth Marris, Daniel J. Ryder-Mahoney, Gregory J. P. Perry, Sally Bloodworth

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 01/09/2026

This webinar showcases #AFMReader, #TopoStats, and the #AFMDatabase (AFMDB), which together support automated analysis, open data practices, and the development of next-generation AI methods for AFM research. Date: 22nd October 2026 Time: 2:00 pm - 3:00 pm Register here: t.ly/wpHaQ

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CaSDaR @casdarnetwork.bsky.social · 01/09/2026

Please fill in this form to apply to present a lightning talk 👉 t.ly/LTsFm The deadline to register to present a lightning talk is the 19th October 2026 with final decisions released on the 23rd October 2026.

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 31/08/2026

Atomic Force Microscopy Database (AFMDB) 👉 t.ly/3VkUD By making these datasets openly available, #AFMDB supports good data sharing practices and provides high quality, standardised examples that can be used to train and evaluate deep learning methods for enhanced AFM analysis.

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 31/08/2026

The paper, by Malin Zollner, presenting the PSDI BenchmarkSet1500 has been published 👉 t.ly/3X1mG BenchmarkSet1500 provides a curated dataset of 1581 organic semiconductor molecules, including excited-state energies and oscillator strengths calculated using multireference quantum-chemical methods.

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 25/08/2026

If you have an AFM paper or AFM related journal idea, please send a short abstract to psdi@soton.ac.uk to receive an invite. More details & Manuscript submission here: t.ly/k3yYP @frontiersin.bsky.social

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German National Research Data Infrastructure (NFDI) @nfdi.de · 25/08/2026

Unlock the power of reusable data and join our next #NFDITalk: "Make your research reusable, for your future self and others: An introduction to the TIB Knowledge Loom". 🗓️ 7 Sept 4 PM 🎤 Speaker: Lauren Snyder ➡️ Zoom (incl. discussion): www.nfdi.de/talks ➡️ YouTube: www.youtube.com/live/4CR1zDB...

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bioRxiv Biophysics @biorxiv-biophys.bsky.social · 25/08/2026

Expanding the Frontiers of Structural Analysis in Short RNAs by Ultra-High Field 1.3 GHz NMR www.biorxiv.org/content/10.64898/20…

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Computational Chemistry Papers @compchem-papers.bsky.social · 24/08/2026

Quantum-corrected NMR crystallography at scale arxiv.org/abs/2603.06236

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 21/08/2026

The practical side of going paperless: PSDI launches ELN whitepaper 👉 t.ly/ZF75x Our new whitepaper, #ELNs in Chemistry: From Implementation to Sustainable Stewardship, takes an honest, practical look at what it takes to introduce an electronic laboratory notebook, and make the change stick.

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RSC-CICAG @rsc-cicag.bsky.social · 21/08/2026

Contribution from Dr Samantha Pearman-Kanza and Dr Philip Leadbitter, University of Southampton Read the full event report: t.ly/wowUQ (pg:25)

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 17/08/2026

📰 Hot off the press, our ELN Whitepaper by Dr. Samantha Pearman-Kanza, PhD and Dr. Matthew Partridge has been published: t.ly/T7kIH This whitepaper provides practical guidance for chemistry departments considering implementing or maintaining an ELN.

This whitepaper provides practical guidance for chemistry departments considering implementing or maintaining an ELN.

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 13/08/2026

Every AFM Scan Is Worth Something Now – Even the Ones That Never Made a Paper by Mansoor Nellikkal Read the full article here: t.ly/Qw4c8

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 11/08/2026

Save the Date for our Showcase event 👉 t.ly/8jGJk 🗓 Date: 25-26 November 2026 📍 Venue: Leonardo Royal Hotel Southampton Grand Harbour, West Quay Road, Southampton SO15 1AG 🕘 Time: 12:00 (Day 1) – 15:30 (Day 2) 💵 Cost: Nominal fee to be charged (~£50)

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 10/08/2026

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The FAIR Elephant @thefairelephant.bsky.social · 10/08/2026

📣 News Digest #RDM in #NaturalScience Week 32, 2026! Today with @fairmat.bsky.social, #NFDI4Cat, @psdi-uk.bsky.social. Enjoy reading. thefairelephant.com/news_digest_... #FAIRElephantNews #RDM #ELN #AI #FAIRdata

News Digest RDM in Natural Science — Week 32, 2026. Topics: ML/AI, ELNs and Services. By The FAIR Elephant

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 04/08/2026

This is a friendly reminder that our next webinar is coming up soon. Webinar: ORKiM: An Open Repository for Kinetic Mechanisms 🗓️ Date: Thursday, 20th August 2026 🕒 Time: 2:00 pm - 3:00 pm (UK time) 👤 Speaker: Dr Sergio Vernuccio (University of Southampton) 🎟️ Register: t.ly/bgTyx

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 04/08/2026

No event can ever come to fruition without the people who tirelessly work to make it happen. So, today we'd like to take a moment to thank the people who made the PSDI and Henry Royce Institute Materials Data Summit happen!

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The FAIR Elephant @thefairelephant.bsky.social · 03/08/2026

📣 News Digest #RDM in #NaturalScience Week 31, 2026! This time with @researchspace.com and @psdi-uk.bsky.social as well as an invitation to the next Ask The Elephant session. Enjoy reading. thefairelephant.com/news_digest_... #FAIRElephantNews #RDM #ELN #RSpace #AI #ChemSky

News Digest RDM in Natural Science — Week 31, 2026. Topics: ML/AI, Use Casesand Ask The Elephant. By The FAIR Elephant

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 30/07/2026

Save the Date for the PSDI Showcase 2026! 🥳 👉 Register your interest now: t.ly/s9SB5 🗓 Date: 25-26 November 2026 📍Venue: Leonardo Royal Hotel Southampton Grand Harbour, West Quay Road, Southampton SO15 1AG 🕘 Time: 12:00 (Day 1) – 15:30 (Day 2) 💵Cost: Nominal fee to be charged (~£50)

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Digital Curation Centre @digitalcuration.bsky.social · 30/07/2026

Join @psdi-uk.bsky.social for a two-day Showcase that will explore the latest PSDI developments, tools and services. The Showcase is intended for anyone with an interest in data-enabled physical sciences research. Register now⬇️ www.psdi.ac.uk/event/showca...

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 29/07/2026

Today's Collaborator Spotlight is on @ccdc.cam.ac.uk ⚡ ⭐️ The Cambridge Structural Database is part of the PSDI Subscribed Resources & Data Sources for PSDI Cross Data Search resource themes. You can access it here 👉 t.ly/qOJrY

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 28/07/2026

Slides available here: t.ly/mmewQ Conference: Flow Battery Reproducibility Workshop , Queens University Belfast, 26-27 March 2026 | Project Lead: Dr. Philip Leadbitter

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 24/07/2026

Professor James Kermode (University of Warwick) introduced the ase-uhal toolkit, which automates and accelerates the generation of high-quality training datasets for machine-learning interatomic potentials. ⛓️‍💥 Access the slides here: t.ly/OZkv4

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 22/07/2026

The webinar by Sergio Vernuccio will present a case study on alkene oligomerisation in acidic zeolites, illustrating how mechanistic information can be obtained, organised, validated and disseminated. 🗓️ Date: Thursday, 20th August 2026 🕒 Time: 2:00 pm - 3:00 pm (UK time) 📌 Register: t.ly/e4fRi

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 21/07/2026

TIB, @beilstein-institut.bsky.social, @nfdi4chem.de, NFDI4Cat & PSDI are organising a new workshop 👉 t.ly/6OPEo ⏰ November 2, 8:00 – November 6, 17:00 CET 🛬 Arrival: November 2, 2026 🚶‍♀️ Departure: November 6, 2026 💻 Workshop core program: November 3–5, 2026

5th Ontologies4Chem Workshop

November 2 , 8:00 – November 6 , 17:00

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 20/07/2026

It was inspiring to see so many people coming together to explore the future of AI-ready data in the physical sciences. A huge thank you to all the speakers and everyone who joined us, contributed to the conversations, and helped make the day such a success!

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 17/07/2026

This is the presentation associated with a workshop delivered at #IDCC26 👉 t.ly/OXou6 Citation: Samantha Pearman-Kanza, PhD, Louise Saul, Cerys Willoughby PS: Cat picture because care 🐈

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NFDI4Chem @nfdi4chem.de · 15/07/2026

At our mini-symposium, 'Modernising Chemistry Education: RDM and Data Science in the Curriculum' at #ECC10 in Antwerp, we discussed with @psdi-uk.bsky.social and #ECTN how to teach data-driven research to students more effectively. Thank you all for a wonderful session! #OpenScience #RDM #Education

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 15/07/2026

Last day to register for the PSDI & Royce Materials Data Summit 2026 👉 t.ly/Wm3HG Abstract Submission is open till 20th July 👉 t.ly/y4T7s

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 14/07/2026

Slides available here: t.ly/XpUQR Conference: Flow Battery Reproducibility Workshop , Queens University Belfast, 26-27 March 2026 | Project Lead: Dr. Philip Leadbitter

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 13/07/2026

Data Revival demonstrates how AI-driven approaches can reverse the trend of data loss. By digitising and analysing the Southampton chemistry archive, the project transformed a dormant collection into a FAIR-aligned. 💻 To access the service, click here: t.ly/5VAoa

Data Revival are PSDI Collaborators. Click the link in the caption to access the service

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RSC-CICAG @rsc-cicag.bsky.social · 11/07/2026

Contribution from Sally Bloodworth, Simon Coles and Cerys Willoughby, School of Chemistry & Chemical Engineering, University of Southampton and Physical Sciences Data Infrastructure @psdi-uk.bsky.social, @unisouthampton.bsky.social Read here: www.beilstein-journals.org/bjoc/article...

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PSDI - Physical Sciences Data Infrastructure @psdi-uk.bsky.social · 10/07/2026

Call for Abstracts! ☎️ We invite participants to submit abstracts for their poster here 👉 t.ly/3rVaX 🌟 If your abstract is accepted you should produce a 1-slide and 1-minute presentation to promote your poster. The poster should be of A0 size and the slide 16:9 aspect ratio

Poster abstract submission are now open for the PSDI & Royce Materials Data Summit 2026

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