PSDI Updates: June 2023

Home » PSDI Updates: June 2023

Jun 1, 2023

In this Newsletter: Update on PSDI | PSDI Pilot Outputs | Webinar series | ML Autumn Training | Notetaking Survey

Update on PSDI

Welcome to this PSDI update newsletter. In this newsletter you can find information about upcoming events from PSDI and our outputs so far from the PSDI pilot phase. We hope to make these newsletters a more regular feature of PSDI and welcome contributions to the PSDI discussion. The best way to get in contact with us is through the PSDI website:

PSDI Pilot Outputs

Take a look at the outputs from the PSDI pilot phase


As part of the PSDI pilot we produced a series of outputs which can all be accessed through the PSDI website. The main report from the pilot as a whole is available at: This high level report summarised the activities that were carried out in the Pilot, as well as the recommendations and outlines for the future of PSDI.

Alongside this report each case study produced a summary report and a detailed report outlining their activities, these are available through the individual case study webpages:

Further dissemination routes are also being explored for the work carried out in several of the case studies. Case study 6 looking into process recording has published some of their findings in a paper 'Digital research environments: a requirements analysis' in RSC Digital discovery -

Our publications are collated in a Zenodo collection which will be added to over time. This collection can be viewed through the PSDI website -


Webinar series


We are launching a new webinar series about PSDI, with different sessions focusing on the various aspects of the PSDI project. This series begins on 29th June with an ‘Introduction to PSDI’ which will present an overview of the project, our journey to now and our vision for the future. The second webinar will be on 27th July looking at our pathfinder activities. You can find out more information about the webinars and how to sign up on the PSDI website.

Introduction to PSDI – 29th June (register now)
PSDI Pathfinders – 27th July (sign up opening soon)


ML Autumn Training

Applications are open for the ML for Atomistic Modelling Autumn School 2023


We are pleased to announce the "Machine Learning for Atomistic Modelling Autumn School"; this machine learning for materials training course is being run by the Physical Sciences Data Infrastructure (PSDI) initiative in collaboration with PSDS, AI4SD, STFC-SCD and CCP5. This training is targeted towards PhD students, particularly in the Materials and Molecular Simulations field, who have experience of coding but are not highly experienced with machine learning. The aim of this training is to introduce attendees to the latest methods of machine learning applied to atomistic simulation of materials and provide hands on experience of using machine learning for atomic and molecular simulations. There will also be the opportunity for attendees to present a poster on their work.

Applications are now open for this training course. The application deadline is 30th June 2023 (including letter of support). You will be informed of the outcome of your application on 14th July, and payment is required by 18th August.
Please pass this message along to any people who may be interested in attending. Please note: places on this course are limited and in the event of oversubscription to the training course we will favour a diverse group of attendees.


Notetaking Survey

Please take a minute to fill out or circulate our notetaking survey!


Do your record notes for your research? Do you use any sort of software for this? E.g. OneNote, Electronic Lab Notebooks, Other? If so you please complete this survey! We would be very grateful if you would fill out (and circulate) our 5 minute survey on Process Recording Tools.

We have received full ethics approval from the University of Southampton Ethics and Research Governance Team (Ergo/FEPS/80887) to run this survey. If you have any questions about this survey please email Dr Samantha Kanza ([email protected])