The PSDI Organic Toolkit is a suite of web apps to support organic chemistry researchers in transparent and high-quality data-reporting. We provide services for visualisation of reaction scope and the variability of numeric reaction outcomes: https://organic-toolkit.psdi.ac.uk/

The variability plot generator enables you to produce plots that describe the reproducibility of any numerical reaction outcome: https://organic-toolkit.psdi.ac.uk/variability-plot

⚡️ Registration link: https://us06web.zoom.us/webinar/register/WN_ws-354zrRTGV6faNNmEUxg

More details here: https://www.psdi.ac.uk/event/new-resources-4/

Malin Zollner (University of Strathclyde) introduced the BenchmarkSet1500 dataset, highlighting regimes in which TD-DFT fails to accurately describe excited states. She further demonstrated how multireference electronic structure methods provide more reliable predictions of excited-state properties, enabling improved discovery of organic semiconductors.

💻 Slides available here: https://zenodo.org/records/20539210

🎥 Recording available here: https://www.youtube.com/watch?v=hHwsAXuCzXU

The PSDI Organic Toolkit is a suite of web apps to support organic chemistry researchers in transparent and high-quality data-reporting.

This toolkit is designed to help organic chemistry researchers effectively share their data to support data-driven approaches to discovery in organic chemistry.

You can check them out for yourself here:

🧰 Variability Plot Generator: https://resources.psdi.ac.uk/service/03290708-a2af-476b-a42a-d3f787dce487

🧰 Glorius Plot Generator: https://resources.psdi.ac.uk/service/7b208979-1ac8-48b4-9ebc-a43581a10926

🚨 Last day to register!! Grab the last few tickets left: https://t.ly/BmQCk

⚡️ Call for Lightning Talks ⚡️

We invite submissions for short lightning talks exploring the challenges, opportunities, and practical experiences involved in creating AI-ready datasets within the physical sciences.

‼️ During registration, participants will be able to indicate their interest in presenting a lightning talk. The organising team will review submissions and notify successful applicants by 26 June 2026.

🚨 Have you registered yet? https://www.psdi.ac.uk/event/new-resources-webinar-2/

🌟 This is the third session in the series of new webinar series entitled “From Project to Platform: New Resources on PSDI”.

This series aims to showcase the high-quality tools and resources developed through the funding call 2025, introduce them to a broader community.

In this session Dr. Dr Josh J. Bailey will be talking about the growing concerns about the reproducibility crisis in flow battery research.

This interactive workshop has been co-created by the Physical Sciences Data Infrastructure (PSDI) and the AI in Chemistry Hub (AIchemy). It aims to bring together researchers, data professional and infrastructure developers to facilitate knowledge exchange and explore what it truly means to be “AI Ready”.

📅 Date: 16th July 2026
⏰ Time: 10:00 am - 4:00 pm
📌 Venue: University of Southampton, Highfield Campus, Southampton, SO17 1BJ
💳 Price: Free
🔗 Registration & details: https://www.psdi.ac.uk/event/ai-ready-data/

⚡️ Registration link: https://us06web.zoom.us/webinar/register/WN_ws-354zrRTGV6faNNmEUxg

🎙️ About the speaker:

Dr Elizaveta Suturina is a Senior Lecturer in Computational Chemistry in the University of Bath. Her research combines computational and experimental approaches to study magnetic properties in cobalt(II) complexes, and she leads the development of a Python toolkit for paramagnetic NMR analysis of metal complexes.

More details here: https://www.psdi.ac.uk/event/new-resources-4/

From Project to Platform: New Resources on PSDI – Session 2: webinar recording available: https://www.psdi.ac.uk/webinar-recording-available-25/

The slides are available on zenodo: https://zenodo.org/records/20539210