BEGIN:VCALENDAR VERSION:2.0 PRODID:-//Physical Sciences Data Infrastructure - ECPv6.15.18//NONSGML v1.0//EN CALSCALE:GREGORIAN METHOD:PUBLISH X-WR-CALNAME:Physical Sciences Data Infrastructure X-ORIGINAL-URL:https://www.psdi.ac.uk X-WR-CALDESC:Events for Physical Sciences Data Infrastructure REFRESH-INTERVAL;VALUE=DURATION:PT1H X-Robots-Tag:noindex X-PUBLISHED-TTL:PT1H BEGIN:VTIMEZONE TZID:Europe/London BEGIN:DAYLIGHT TZOFFSETFROM:+0000 TZOFFSETTO:+0100 TZNAME:BST DTSTART:20230326T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0100 TZOFFSETTO:+0000 TZNAME:GMT DTSTART:20231029T010000 END:STANDARD BEGIN:DAYLIGHT TZOFFSETFROM:+0000 TZOFFSETTO:+0100 TZNAME:BST DTSTART:20240331T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0100 TZOFFSETTO:+0000 TZNAME:GMT DTSTART:20241027T010000 END:STANDARD BEGIN:DAYLIGHT TZOFFSETFROM:+0000 TZOFFSETTO:+0100 TZNAME:BST DTSTART:20250330T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0100 TZOFFSETTO:+0000 TZNAME:GMT DTSTART:20251026T010000 END:STANDARD BEGIN:DAYLIGHT TZOFFSETFROM:+0000 TZOFFSETTO:+0100 TZNAME:BST DTSTART:20260329T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0100 TZOFFSETTO:+0000 TZNAME:GMT DTSTART:20261025T010000 END:STANDARD BEGIN:DAYLIGHT TZOFFSETFROM:+0000 TZOFFSETTO:+0100 TZNAME:BST DTSTART:20270328T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0100 TZOFFSETTO:+0000 TZNAME:GMT DTSTART:20271031T010000 END:STANDARD END:VTIMEZONE BEGIN:VTIMEZONE TZID:Europe/Paris BEGIN:DAYLIGHT TZOFFSETFROM:+0100 TZOFFSETTO:+0200 TZNAME:CEST DTSTART:20250330T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0200 TZOFFSETTO:+0100 TZNAME:CET DTSTART:20251026T010000 END:STANDARD BEGIN:DAYLIGHT TZOFFSETFROM:+0100 TZOFFSETTO:+0200 TZNAME:CEST DTSTART:20260329T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0200 TZOFFSETTO:+0100 TZNAME:CET DTSTART:20261025T010000 END:STANDARD BEGIN:DAYLIGHT TZOFFSETFROM:+0100 TZOFFSETTO:+0200 TZNAME:CEST DTSTART:20270328T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0200 TZOFFSETTO:+0100 TZNAME:CET DTSTART:20271031T010000 END:STANDARD END:VTIMEZONE BEGIN:VTIMEZONE TZID:Europe/Berlin BEGIN:DAYLIGHT TZOFFSETFROM:+0100 TZOFFSETTO:+0200 TZNAME:CEST DTSTART:20240331T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0200 TZOFFSETTO:+0100 TZNAME:CET DTSTART:20241027T010000 END:STANDARD BEGIN:DAYLIGHT TZOFFSETFROM:+0100 TZOFFSETTO:+0200 TZNAME:CEST DTSTART:20250330T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0200 TZOFFSETTO:+0100 TZNAME:CET DTSTART:20251026T010000 END:STANDARD BEGIN:DAYLIGHT TZOFFSETFROM:+0100 TZOFFSETTO:+0200 TZNAME:CEST DTSTART:20260329T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0200 TZOFFSETTO:+0100 TZNAME:CET DTSTART:20261025T010000 END:STANDARD END:VTIMEZONE BEGIN:VEVENT DTSTART;TZID=Europe/London:20260330T100000 DTEND;TZID=Europe/London:20260330T160000 DTSTAMP:20260407T100447 CREATED:20260303T162325Z LAST-MODIFIED:20260304T154219Z UID:36783-1774864800-1774886400@www.psdi.ac.uk SUMMARY:Workshop: NMR Data Analysis of Paramagnetic Metal Complexes DESCRIPTION:As part of PSDI’s 2025 funding call\, project partners at the University of Bath (led by Dr Elizaveta Suturina) are hosting a one-day workshop focused on the NMR data analysis of paramagnetic metal complexes in solution\, supported by quantum chemistry calculations. \nThis event is supported by PSDI and is free to attend\, with lunch and refreshments provided. \n \n \n \n \n \n Event Details\n📅Date: Monday\, 30 March🕘Time: 10:00 am – 4:00 pm📍Location: 1 South 0.01\, Department of Chemistry\, University of Bath \n \n \n \n \n \n About the Workshop\nThis workshop will explore both experimental and computational approaches to paramagnetic NMR (pNMR)\, providing participants with practical tools and expert insights. \nMorning Session – Invited Speakers\nThe morning will feature talks from: \n\n Dr. Markus Enders (Universität Heidelberg)\n Lucas Lang (Technische Universität Berlin)\n\nSpeakers will cover advanced methods for analysing paramagnetic NMR data and integrating quantum chemical calculations to support structural interpretation. \nAfternoon Session – Hands-On Training\nThe afternoon will include a practical session using SimpNMR software\, along with a “bring your own research” segment where participants can receive direct support in analysing their own pNMR data. \nParticipants attending the afternoon session should bring their own laptops. \n \n \n \n \n \n Who Should Attend?\nThis workshop is aimed at PhD students and researchers who: \n\nWork with paramagnetic metal complexes\nHave experience measuring pNMR and/or calculating NMR/EPR parameters ab initio\n\n \n \n \n \n \n Registration Details\nRegistration for this event is required and places are limited. To secure a place\, please complete the Expression of Interest form. \nFor specific enquiries\, please contact Dr Elizaveta Suturina at e.suturina@bath.ac.uk. URL:https://www.psdi.ac.uk/event/nmr_workshop_bath/ LOCATION:Private: University of Bath CATEGORIES:Workshop END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20260312T130000 DTEND;TZID=Europe/London:20260312T163000 DTSTAMP:20260407T100447 CREATED:20260126T125724Z LAST-MODIFIED:20260319T113611Z UID:36699-1773320400-1773333000@www.psdi.ac.uk SUMMARY:Online Meeting on Electronic Research Notebooks: Implementation & Adoption Success Stories DESCRIPTION:The recording of this webinar is now available on YouTube​ \n \n \n \n \n \n Event Description\nAre you considering implementing an Electronic Research Notebook (ERN) for your institution or research group but aren’t sure where to start? Have you perhaps already tried to implement an ERN and were unable to overcome certain obstacles? Or are you a digital master who has successfully implemented one and want to share your experiences? Join us for a thought provoking online meeting to share knowledge around the practicalities\, benefits\, and success stories of ERN adoption. \n \n \n \n \n \n Event Audience\nThis event is designed for anyone interested in digitising research workflows\, moving from paper notebooks (lab or otherwise!) to digital solutions\, and ensuring well-documented research data. Learn from real-world examples\, discover different ERN options\, and gain insight into the challenges and considerations required for successful ERN implementation.  \n \n \n \n \n \n Agenda\n\n13:00 – 13:15: Introductions to the Community\n13:15 – 14:15: Electronic Research Notebook Experiences\n\nOneNote Portfolios for Supporting Laboratory and Research Skills Development in Undergraduate Students – Chloe Harold and Chris Hawes (Keele University)Digital portfolios are increasingly used to support reflective and authentic assessment in higher education. This talk describes the use of Microsoft OneNote as a platform for laboratory portfolios in our undergraduate chemistry course. We discuss the rationale for adopting a portfolio-based assessment model\, outline the practical implementation of OneNote portfolios in laboratory courses across all levels\, and evaluate the strengths and limitations of OneNote for portfolio use. Student and staff feedback highlights improved organisation\, reflection\, and contemporaneous engagement with laboratory learning\, alongside improved module outcomes. We conclude by demonstrating how this approach can be transferred beyond laboratory assessment and adapted for use in other disciplines.\nUsing a general note-taking software as a flexible ERN – Dr. Danny Garside (Digital Research Academy)When Danny was a postdoc in a neuroscience lab at the National Institutes of Health in Washington DC they were tasked with finding a replacement to the lab’s system of paper notebooks. They settled on logseq – a general note-taking software which is open-source and flexible. They will discuss the reasons for this choice (free\, flexible\, no vendor lock-in\, supporting the development of open-source tools)\, how they implemented it (see this blog post)\, and lessons learnt along the way.\nImplementing OneNote in Chemistry Undergraduate Labs – Dr Philip Leadbitter (University of Southampton) In late 2019\, the undergraduate teaching laboratories in Chemistry and Chemical Engineering at the University of Southampton (UoS) underwent a major refurbishment\, including the introduction of teaching laptops to the labs. This paved the way for the teaching labs to phase out physical notebooks. Yet this phasing out process was not without its complications\, and it was not until 2024 a comprehensive replacement for the old physical notebooks was fully implemented. This talk will share insights from our implementation of OneNote and explain why ultimately a fully fledged ELN is now considered more suitable for our needs.\nTrialing and Implementing Revvity Signals in Chemistry Research Labs – Dr Samantha Pearman-Kanza (University of Southampton)In 2025\, the University of Southampton trialled the Revvity Signals Electronic Lab Notebook (ELN) across 12 chemistry research groups\, engaging 36 researchers and capturing over 120 experiments per week. This presentation shares key lessons from the pilot\, highlighting benefits such as improved workflow consistency\, ChemDraw integration\, and embedded Health & Safety documentation\, alongside technical and adoption challenges that emerged. The talk explores critical success factors for ELN implementation\, including stakeholder engagement and user support\, and outlines considerations for optimising and scaling ELN use across academic research environments.\nAI4Green: an open-source ELN promoting sustainability chemistry – Professor Jonathan Hirst (University of Nottingham)Digital tools will be a critical part of making chemistry research laboratories more sustainable. Our AI4Green open-source electronic laboratory notebook (ELN)\, https://ai4green.app\, combines features including data archival and collaboration tools. The application’s design facilitates the integration of auxiliary sustainability applications. For example\, the open-source retrosynthesis software\, AiZynthFinder has been integrated into the platform. AI4Green features a sustainable solvent selection tool\, which comprises the Solvent Guide and the Solvent Surfer. The latter is an interactive principal component analysis (PCA) that provides users with an easy method to determine greener solvent alternatives.\nImplementing RSpace as an institutional Electronic Research Notebook for UCL – James A J Wilson (UCL)After a couple of years of discussing and measuring the potential need for an institutional ERN/ELN for University College London\, a decision was made in 2020 that the time was right to acquire a system that would benefit a broad cross-section of the university and the university went to tender to purchase and implement such a system. We settled on RSpace\, as the best fit to our strategy and after user testing. RSpace has now been in place for five years – enough time to learn lessons about what has worked and what remains to be done. This presentation will summarize the story behind the selection of RSpace and what we have learnt on the way.\n\n\n14:15 – 14:45: Q+A Panel with Speakers  \n14:45 – 15:00: Coffee Break\n15:00 – 16:30: Interactive Discussion Session\n\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Speaker Details\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Chloe Harold (Keele University)Chloe Harold is a Chemistry lecturer at Keele University with 17 years of teaching experience. Three years ago\, she introduced OneNote laboratory portfolios into the first-year chemistry laboratory module in response to the limitations of traditional hard-backed lab diaries. Since then\, she has supported colleagues at Keele and at other universities in adopting digital laboratory portfolios. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Dr Chris Hawes (Keele University)Chris Hawes is a lecturer and joint programme director of the Chemistry undergraduate programmes at Keele University\, with background as a structural inorganic chemistry researcher. As module lead of Keele’s year 2 laboratory module and year 4 MChem research project module\, he has followed Chloe’s successful year 1 pilot to help expand OneNote laboratory and research notebooks to the remainder of our Chemistry undergraduate programme as part of Keele’s recent curriculum redesign. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Dr. Danny Garside (Digital Research Academy)Danny Garside is a neuroscientist and meta-scientist\, who splits their time between researching colour vision and trying to make academia more accessible\, more efficient\, and happier. They are the Community Manager for the Digital Research Academy\, and currently excited about the opportunities for academic research co-operatives. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Dr Philip Leadbitter (University of Southampton)Dr Philip Leadbitter is a research fellow at the University of Southampton\, working for the Physical Sciences Data Infrastructure (PSDI). His broad focus is on teaching\, both developing training and more relevant here process recording studies focused on undergraduate teaching laboratories. Recently he has working with the University teaching staff to successfully implement OneNote as a electronic lab notebook\, paving the way for a higher quality of teaching for students in the coming years. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Dr Samantha Pearman-Kanza (University of Southampton)Dr. Samantha Pearman-Kanza is a Principal Enterprise Fellow at the University of Southampton\, the Principal Investigator for the Careers and Skills for Data-driven Research Network (CaSDaR)\, Co-Investigator  for the Physical Sciences Data Infrastructure (PSDI) Initiative\, and a researcher for the AI in Chemistry Hub (AIChemy). Samantha sits on the Advisory Boards for the Future Labs Live (Basel) and London Labs Live (UK) Conferences\, the Machines Learning Chemistry Project (University of Nottingham)\, the STEP-UP project (Imperial College London)\, and the Knowledger Project (University of North Florida)\, and the UK electronic information Group (UKeiG) STRIX Committee. She is also the Faculty Deputy Chair of the Ethics Committee. Samantha’s key research areas are ELNs\, process recording\, FAIR data\, data stewardship and research data management\, and semantic web technologies. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Professor Jonathan Hirst (University of Nottingham)Jonathan Hirstis Professor in Computational Chemistry at the University of Nottingham. In 2020\, he was awarded a Chair in Emerging Technologies by the Royal Academy of Engineering\, focusing on research that will empower the development of next-generation molecules that chemical engineers and chemists make\, by using machine learning to augment human decision-making. His tenure as Head of School (2013-2017) saw some significant transformations under his leadership\, including the building of the GSK Carbon Neutral Laboratory and a successful bid for an Athena Swan Silver Award. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n James A J WilsonDr James A J Wilson is Head of Research Data Services at the Centre for Advanced Research Computing (ARC) at UCL He has led the development of Research Data Stewardship as a profession in UCL\, building a team of eighteen research data stewards who run data management services and collaborate with researchers to support good data management and ensure data is as FAIR as possible. In 2020\, James led the implementation of an institutional Electronic Research Notebook at UCL\, based on RSpace\, and runs the ERN User Group. He is an active member of the Research Data Alliance and a co-chair of the Research Data Architectures for Research Institutions (RDARI) Interest Group. URL:https://www.psdi.ac.uk/event/electronic-research-notebooks/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20260226T140000 DTEND;TZID=Europe/London:20260226T150000 DTSTAMP:20260407T100447 CREATED:20260114T153125Z LAST-MODIFIED:20260311T141225Z UID:36658-1772114400-1772118000@www.psdi.ac.uk SUMMARY:Webinar: Breaking Data Silos - From static documents to living data DESCRIPTION:This webinar demonstrates how Data Revival applies cutting edge computer vision and domain specific AI to unlock chemical “dark data” trapped in documents\, patents\, and historical notebooks\, transforming it into structured\, interoperable\, AI ready assets that accelerate discovery and dissolve traditional data silos. \nThe recording of this webinar is now available on YouTube \n \n \n \n \n \n Abstract\nIn the physical sciences\, critical R&D knowledge remains trapped in a vast array of static formats—ranging from handwritten lab notebooks and internal company reports to academic literature and patent filings. This fragmentation creates data silos that hinder innovation and prevent the deployment of modern digital tools. \nIn this webinar\, Data Revival will demonstrate how advanced computer vision and domain-specific AI can transform this “dark data” into living\, interoperable assets. We will showcase our specialized Optical Chemical Structure Recognition (OCSR) technology\, which is uniquely capable of interpreting the full spectrum of chemical representations: standard printed molecules\, complex Markush structures found in intellectual property\, and hand-drawn structures from legacy notebooks. \nAttendees will see this technology applied in real-world scenarios\, including the creation of comprehensive reaction databases from thousands of Organic Process Research & Development (OPRD) papers \, the systematic parsing of patent landscapes\, and the automated extraction of historical notebook data to populate modern Electronic Lab Notebooks (ELNs). Join us to learn how we bridge the gap between static archives and AI-ready infrastructure. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Samuel Munday is the CEO and co-founder of the University of Southampton spin out Data Revival. He first became interested in scientific data management whilst building a predictive analytics platform for polymeric materials and realising that a lot of key data resided in a form incomprehensible to computers. This has led to the development of a series of tools for unstructured chemical data extraction and structuring\, mainly used for turning hand written lab notebooks\, patents and academic literature into structured searchable databases at scale. These services are now being used by large multinational chemical and pharmaceutical companies in areas as diverse as semiconductors\, polymers and drug discovery. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our YouTube channel. Slides are available on Zenodo. \n\n\n\n\n\n\n\n The PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-data-revival-2/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/Paris:20260216T130000 DTEND;TZID=Europe/Paris:20260216T160000 DTSTAMP:20260407T100447 CREATED:20260112T110155Z LAST-MODIFIED:20260113T155832Z UID:36638-1771246800-1771257600@www.psdi.ac.uk SUMMARY:IDCC26: Workshop 7 - Evolving data management plans DESCRIPTION:📅 Date: 16 February 2026📍 Venue: Esplanade Zagreb Hotel\, Croatia💷 Fee: Free (registration required)👉 Register: Click here \n \n \n \n \n \n Workshop Description\nEffective management of research data including methods\, workflows\, and code is essential for ensuring research quality\, ethical practice\, and the FAIR principles that enable long‑term reuse. Although the Data Management Plan (DMP) is the primary instrument intended to support these aims\, its current form-based implementation often functions as a compliance requirement rather than a mechanism that meaningfully improves practice. We think that DMPs should be much more than that\, not just serving as an active\, dynamically updated record of the research project but also including smart functionality and integrating with the other tools we use to manage our research. \nIn this half-day workshop\, held as part of IDDC26\, we aim to bring together a diverse group of research professionals including data stewards\, librarians\, research technicians and repository managers to facilitate knowledge exchange and collaborative idea generation around current and future enhancements to the functionality and utility of DMPs.   \nWe invite participants to contribute a lightning talk highlighting revolutionary or highly effective tools and approaches they have used or developed for data management planning or research data management. This is a great opportunity to share practical experiences and inspire others during the session. \nTarget Audience\nThis workshop is intended for anyone working in scientific research or involved in planning\, managing\, documenting\, curating\, and sharing research outputs\, including: \n\nResearchers in all disciplines and at all career stages\nData stewards\, data managers\, and other research support professionals\nData librarians\nResearch technicians\nResearch software developers\nRepository managers and other data curation professionals\nResearch funders and policymakers\nOther research data professionals\n\nDraft Agenda\nThis is a draft agenda for the workshop\, timings might changed based on the number of lightning talks submitted. \n\n13:00 – 13:15: Introductions ​\n13:15 – 13:35: Introduction and Background to PSDI​\n13:35 – 14:25: Focus Group Activity: What do we need DMPsto do?​\n14:25 – 14:35: Talks: Effective tools and new developments​\n14:35 – 14:50: Coffee Break​\n14:50 – 15:00: Talks: Smart\, Integrated\, Active\, Useful!​\n15:00 –15:40: Focus Group Activity: Visions for the future​\n15:40–15:55: Feedback from Focus Groups & GroupDiscussion​\n15:55–16:00: Wrap up and Next Steps​\n\n \n Register URL:https://www.psdi.ac.uk/event/idcc26-workshop-7-evolving-data-management-plans/ LOCATION:Esplanade Zagreb Hotel\, 1 Mihanovićeva ulica\, Zagreb\, Croatia (Local Name: Hrvatska) CATEGORIES:Workshop ATTACH;FMTTYPE=image/png:https://www.psdi.ac.uk/wp-content/uploads/2026/01/Workshop-7.png END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20260108T140000 DTEND;TZID=Europe/London:20260108T150000 DTSTAMP:20260407T100447 CREATED:20251120T104207Z LAST-MODIFIED:20260129T110512Z UID:36554-1767880800-1767884400@www.psdi.ac.uk SUMMARY:Webinar: Trusted and reproducible workflows for machine learnt interatomic potentials DESCRIPTION:This webinar explores recent advances in machine learnt interatomic potentials (MLIPs) that revolutionize atomistic simulations with ab initio accuracy and expanded scales\, while introducing software frameworks such as janus-core\, aiida-mlip\, and ML-PEG for data generation\, benchmarking\, training\, and workflow integration within the PSDI ecosystem. \nThe recording of this webinar is now available on YouTube \n \n \n \n \n \n Abstract\nRecent advances in machine learnt interatomic potentials (MLIPs) are revolutionising atomistic simulations\, enabling atomistic modelling with accuracy comparable to ab initio calculations extending significantly time and length scales. However\, in order for researchers to be able to take full advantage of these advances\, software frameworks are needed to facilitate data generation\, scientific benchmarking\, training and fine-tuning of MLIPs\, as well as to enable their integration into simulation workflows to study properties of interest. To address this need\, we introduce (a) janus-core\, (b) aiida-mlip and (c) ML-PEG. \nThe main focus of this highlight will be aiida-mlip and ML-PEG. aiida-mlip is an AiiDA plugin\, enabling full provenance tracking and HPC integration for workflows involving MLIPs\, such as high-throughput calculations and fine-tuning workflows. ML-PEG is an ML potential usability and performance guide\, providing a framework to develop\, run\, and visualise an automated\, modular\, hierarchical test suite for MLIPs. ML-PEG is highly interactive\, with users able to explore the results of tests at multiple levels of detail\, and customise the relative importance and scaling of individual tests according to their applications and properties of interest. How these integrate in the larger ecosystem of PSDI\, like data collections would also be highlighted. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Elliott Kasoar is a research software engineer in the data-driven materials and molecular science group within STFC’s scientific computing department. As part of the PSDI Data to Knowledge pathfinder\, he leads the development of digital infrastructure for machine learnt interatomic potentials. \nHe is also pursuing a part-time PhD in Gábor Csányi’s group at the University of Cambridge\, with a current focus on developing an ML potential usability and performance guide as both a deployed service and deployable software framework. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Dr Alin-Marin Elena is a computational scientist at STFC Daresbury Laboratory\, specializing in computational statistical physics\, molecular dynamics and Monte Carlo methods. He contributes to open-source scientific software\, including CP2K\, DL_POLY (5.0)\, ASE\, and janus-core\, and leads the Data-Driven Molecular and Materials Sciences group at STFC. With a keen interest in machine learnt interatomic potentials—their generation\, usage\, and application to explain experimental results—as well as computational statistical mechanics of rare events\, HPC\, continuous integration and deployment\, and user experience for scientific codes\, he leads the Data to Knowledge pathfinder in PSDI. He earned his PhD in Physics from University College Dublin in 2013 under the supervision of Prof Giovanni Ciccotti and Dr Simone Meloni. Prior to and following his PhD\, he worked as a computational scientist at the Irish Centre for High End Computing\, where he coordinated the National Service and participated in the Intel Parallel Computing Centre program for code modernization on emerging architectures. \nHe is a member of the Computational Molecular and Materials Science Theme at STFC and is involved in EPSRC/MRC/BBSRC-funded CoSeC initiatives for exchanging computational knowledge and expertise through training and outreach for CoSeC\, PSDI\, and the Ada Lovelace Center. Notably\, he serves on the organizing committee of the CCP5 Summer School (co-sponsored by CECAM) and the CaMML school (co-sponsored by PSDI and AiHUB). \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our YouTube channel. \n\n\n\n\n\n\n\n The PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-data-knowledge-pathfinder/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20251211T140000 DTEND;TZID=Europe/London:20251211T150000 DTSTAMP:20260407T100447 CREATED:20251120T101526Z LAST-MODIFIED:20251219T164610Z UID:36548-1765461600-1765465200@www.psdi.ac.uk SUMMARY:Webinar: How do we use metadata to plug your Physical Science data or software into PSDI? DESCRIPTION:This webinar introduces the first version of the PSDI launched in spring 2025\, explaining how to integrate physical sciences resources like data\, services\, tools\, and guidance into its resource catalogue and cross-data search using PSDI’s metadata framework. \nThe recording of this webinar is now available on YouTube \n \n \n \n \n \n Abstract\n​The first version of the Physical Sciences Data Infrastructure (PSDI) was launched in spring this year. Here we describe how we plug a physical sciences resource (data\, services\, tools\, guidance) into PSDI’s resource catalogue and PSDI cross data search via PSDI’s metadata. This webinar would be interest to new PSDI partners and physical sciences researchers who are considering contributing to PSDI in the future. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n   \nDr Aileen Day is a Senior Data Engineer for the Physical Sciences Data Infrastructure (PSDI)\, where she leads the development of PSDI’s metadata. Throughout her career\, she has bridged science (Chemistry and Materials Science) and computing (computer modelling\, programming\, and databases). She began by studying materials science at Cambridge University\, followed by a PhD in the chemistry department at University College London\, focusing on computer modelling of zeolites. She then served as a Materials Information Consultant for Granta Design\, creating databases of materials properties\, test data\, and design data\, while training customers on setup\, usage\, and workflow integration. Subsequently\, she worked for the Royal Society of Chemistry\, developing RSC resources (including RSC Publications\, ChemSpider\, ontologies\, and educational projects like the RSC Learn Chemistry Wiki) and linking them internally and externally. \n​ \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our YouTube channel. Slides are available on Zenodo. \n\n\n\n\n\n\n\n The PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-metadata/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20251127T140000 DTEND;TZID=Europe/London:20251127T150000 DTSTAMP:20260407T100447 CREATED:20251014T130244Z LAST-MODIFIED:20251219T164458Z UID:36445-1764252000-1764255600@www.psdi.ac.uk SUMMARY:Webinar: FAIR materials database for NMR Crystallography DESCRIPTION:This webinar explores the creation of a materials database for the UK solid-state NMR community\, showing how it supports evolving data-sharing practices through the principles of FAIR. \nThe recording of this webinar is now available on YouTube \n \n \n \n \n \n Abstract\nThis talk presents the ongoing work with the materials database built for the solid-state Nuclear Magnetic Resonance community in the UK. It explores the evolving data sharing needs of the NMR researchers and how the database caters to these needs while addressing each aspect of Findability\, Accessibility\, Interoperability\, and Reusability (FAIR). \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n   \n  \n  \nDr Sathya Sai Seetharaman is a Computational Scientist at the Science and Technology Facilities Council\, Rutherford Appleton Laboratory\, Harwell. His current work focuses on developing data infrastructure and workflows to support collaborative research in solid-state NMR crystallography. \nWith a research background in metamaterials and industry experience in consumer electronics\, he brings an applied\, interdisciplinary perspective to scientific computation and advancing FAIR data practices in materials science. \n​ \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our YouTube channel. Slides are available on Zenodo. \n\n\n\n\n\n\n\n The PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-nmr-crystallography/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/Berlin:20251111T090000 DTEND;TZID=Europe/Berlin:20251113T180000 DTSTAMP:20260407T100447 CREATED:20250814T102727Z LAST-MODIFIED:20250814T191902Z UID:36250-1762851600-1763056800@www.psdi.ac.uk SUMMARY:Workshop: Ontologies4Chem - Limburg\, Germany DESCRIPTION:This workshop focuses on chemistry-related ontologies for metadata annotation in FAIR research data management. Key goals include establishing a recommended set of ontologies for the chemistry community\, enhancing their documentation in the NFDI4Chem Terminology Service\, and addressing gaps or challenges in ontology usage. It’s an opportunity for participants to share examples of data annotation needs and discuss barriers. \n🗓   Date: 11th-13th November 2025 📍 Location: Limburg\, Germany 🕘 Time: 9:00–18:00 CET daily \nFor details\, please refer to the NFDI4Chem site: https://www.nfdi4chem.de/event/4-workshop-ontologies4chem/. \n \n \n \n \n \n Organisers\n \n \n \n \n \n NFDI4Chem\, NFDI4Cat\, Beilstein-Institut & PSDI \n \n \n \n \n \n Agenda Highlights\n \n \n \n \n \n The agenda combines presentations\, discussions\, and hands-on hacking sessions: \n\nDay 1 (11th Nov): Welcome\, keynote on ontological representation of chemical reactions\, lightning talks from consortia\, project updates\, and hacking sessions.\nDay 2 (12th Nov): Presentations and hacking focused on representing chemical reactions with ontologies.\nDay 3 (13th Nov): Presentations on chemical entities (e.g.\, ChEBI improvements via AI and community curation)\, hacking\, report-back\, and closing.\n\nFor the full detailed agenda\, including exact timings and topics\, visit the NFDI4Chem event page. \n \n \n \n \n \n Registration\n \n \n \n \n \n \nCost: Free registration; participants cover their own travel and accommodation (~125 EUR/night at the venue\, including breakfast\, book via confirmation email).\nHow to Register: Complete the process on the NFDI4Chem site for confirmation and full details.\n\nRegister Here URL:https://www.psdi.ac.uk/event/workshop-ontologies4chem/ LOCATION:Dom Hotel Limburg\, Limburg\, Germany CATEGORIES:Large Event END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20251016T140000 DTEND;TZID=Europe/London:20251016T150000 DTSTAMP:20260407T100447 CREATED:20250807T132239Z LAST-MODIFIED:20251119T141508Z UID:36240-1760623200-1760626800@www.psdi.ac.uk SUMMARY:Webinar: We can only have good science if we have good data - the case for data auditing DESCRIPTION:This webinar delves into how quality checks were applied to physical chemistry data\, uncovering surprising flaws in reputable datasets and showing why such review processes are essential to ensuring scientific accuracy. \nThe recording of this webinar is now available on YouTube \n \n \n \n \n \n Abstract\n​This talk explores the data auditing process behind the Physical Chemistry Properties data collection. It highlights surprising errors found in trusted sources\, the methodologies that were explored\, and includes a very persuasive argument for why auditing isn’t just housekeeping – it’s key for building reliable data collections without which we won’t have reliable science. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n   \nDr Matthew Partridge is a Senior Research Fellow in the School of Chemistry and Chemical Engineering at the University of Southampton. His research background spans the interdisciplinary boundaries between chemistry\, physics\, and biology\, with a particular focus on applied and analytical systems. Since the start of 2025\, he has been leading the development of the Physical Chemistry Properties Data Collection as part of the Physical Sciences Data Infrastructure (PSDI) initiative. Alongside his research\, he is a science communicator known for his outreach work through ErrantScience and other public engagement projects. \n​ \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our YouTube channel. Slides are available on Zenodo. \n\n\n\n\n\n\n\n The PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-data-auditing/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250917T100000 DTEND;TZID=Europe/London:20250917T170000 DTSTAMP:20260407T100447 CREATED:20250624T144750Z LAST-MODIFIED:20250929T155540Z UID:36152-1758103200-1758128400@www.psdi.ac.uk SUMMARY:PSDI Showcase DESCRIPTION:Let’s Collaborate to Accelerate your Use of PSDI \n \n \n \n \n \n Join us in Birmingham for the official PSDI Showcase — a one-day\, in-person event designed to introduce researchers\, data professionals\, and institutions working at the forefront of physical sciences\, to our Physical Sciences Data Infrastructure. \n🗓 Date: Wednesday\, 17th September 2025 📍 Venue: The Library of Birmingham\, Centenary Square\, Birmingham B1 2ND 🕘 Time: 10:00–17:00 BST \n \n \n \n \n \n About the Event \n \n \n \n \n \n PSDI’s Showcase Event is a rare opportunity to explore the tools\, research\, and community behind the Physical Sciences Data Infrastructure (PSDI) initiative. Whether you are leading a complex research project\, managing data infrastructure\, or supporting research culture and reproducibility — this event has been designed with you in mind.  \nThe day will include:  \n\nA curated exhibition of PSDI tools and resources — with live demonstrations of how they can enhance your research workflows \n\n\nKeynote talks from leaders in data curation\, scientific infrastructure\, and open research \n\n\nLightning talks and poster sessions from researchers using PSDI resources in real-world projects \n\n\nOpportunities to share feedback and shape future developments \n\n \n \n \n \n \n Who Should Attend? \n \n \n \n \n \n This event is tailored to individuals and teams involved in the collection\, management\, and application of research data in physical sciences\, including:  \n\nResearchers and research group leaders \n\n\nData stewards and research software engineers \n\n\nTechnical professionals managing data repositories or workflows \n\n\nLibrarians\, infrastructure managers\, and open science advocates \n\n\nFunders and policy professionals interested in data-driven research \n\nIf your work intersects with data in physical sciences\, this event is for you. \n \n \n \n \n \n Why Attend? \n \n \n \n \n \n Research is becoming more data-intensive\, collaborative\, and open — but that brings new challenges.  \nThis Showcase is your opportunity to:  \n\nSee PSDI in action — discover how our tools and guidance are being used to solve real-world challenges \n\n\nBuild your network — connect with like-minded researchers\, funders\, and data professionals across the UK \n\n\nContribute your perspective — help shape the direction of PSDI’s future resources \n\n\nTake practical knowledge back to your team — and accelerate your next data-intensive project\n\n \n \n \n \n \n Venue Information \n \n \n \n \n \n The event will take place at the Library of Birmingham\, a modern\, accessible venue in the heart of the city. Just a few minutes’ walk from Birmingham New Street Station\, the library provides an ideal setting for interactive discussions\, networking\, and live demonstrations.  \nAddress: Library of Birmingham\, Centenary Square\, Broad Street\, Birmingham B1 2ND Transport: Excellent rail and public transport links Accessibility: Fully accessible venue  \nLunch and refreshments will be provided throughout the day. Please let us know about any accessibility or dietary requirements when registering.  \n \n \n \n \n \n Agenda\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Spaces are limited and interest is expected to be high. \nWe look forward to welcoming you to Birmingham —Let’s collaborate to accelerate the future of data in the physical sciences. \n \n \n \n \n \n This event will be run as an in person event only\, however\, there will be the opportunity to see the event materials and provide feedback alongside the Showcase. If you are unable to attend the meeting but want to hear more about the event please make sure you are signed up to our PSDI mailing list (https://www.jiscmail.ac.uk/cgi-bin/wa-jisc.exe?SUBED1=PSDI&A=1) \n \n View Event Details URL:https://www.psdi.ac.uk/event/psdi-showcase/ LOCATION:The Library Birmingham\, Centenary Square\, Birmingham\, B1 2ND\, United Kingdom CATEGORIES:Large Event END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250814T140000 DTEND;TZID=Europe/London:20250814T150000 DTSTAMP:20260407T100447 CREATED:20250717T100036Z LAST-MODIFIED:20251015T084824Z UID:36176-1755180000-1755183600@www.psdi.ac.uk SUMMARY:Webinar: Seekest thou the road to\, all that's digital and FAIR - the Ballad of the ELN Journey DESCRIPTION:This Webinar\, presented by Dr. Samantha Pearman-Kanza\, explores the sociotechnical challenges of implementing Electronic Lab Notebooks (ELNs) to achieve FAIR (Findable\, Accessible\, Interoperable\, Reusable) data in research labs. Through PSDI\, she has evaluated diverse ELN solutions\, uncovering key barriers and strategies for success. \nThe recording of this webinar is now available on YouTube \n \n \n \n \n \n Abstract\n​With the ever increasing realisation that a majority of scientific research that is published is not “FAIR” (Findable\, Accessible\, Interoperable\, Reusable) there has been a strong push in recent years to implement digital tools within the labs (namely Electronic Lab Notebooks) to combat this. However\, implementing an Electronic Lab Notebook (ELN) is no mean feat\, it is a sociotechnical challenge with a range of barriers and considerations that need to be taken into account if this is to be achieved successfully. Furthermore\, we need to understand that implementing an ELN is not the end of the journey; digital tools and digitally produced data are arguably no more FAIR than the original paper based lab book if they are not utilised to their full extent. Through PSDI we have worked on a number of case studies to examine and evaluate ELN implementations\, ranging from in-house custom solutions\, to fully fledged industrial solutions\, across both teaching and research laboratories\, which have vastly enriched our insight on these complex matters. \nJoin me to delve into my twisty turny decade long journey in the trials and tribulations of implementing Electronic Lab Notebooks\, and despite the title\, I promise I won’t sing! \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n   \nDr. Samantha Pearman-Kanza is a Principal Enterprise Fellow at the University of Southampton. She is the Principal Investigator for the Careers and Skills for Data-driven Research Network www.casdar.ac.uk\, and the Pathfinder Lead on Process Recording for the Physical Sciences Data Infrastructure (PSDI) Initiative – www.psdi.ac.uk. \nSamantha sits on the Advisory Boards for the Future Labs Live Conference in Basel\, London Labs Live in the UK\, the Machines Learning Chemistry Project at the University of Nottingham\, and the Knowledger Project at the University of North Florida\, in addition to being a member of the UK electronic information Group (UKeiG) STRIX Committee. She is also a regular columnist for the Lab Horizons Magazine under the name CompSci Cat\, discussing important issues around process recording and FAIR data. Samantha’s key research areas are ELNs\, process recording\, FAIR data\, data stewardship and research data management\, and semantic web technologies. \n​ \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our YouTube channel. Slides are available on Zenodo. \n\n\n\n\n\n\n\n The PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-eln-implementation/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250717T140000 DTEND;TZID=Europe/London:20250717T150000 DTSTAMP:20260407T100447 CREATED:20250616T125001Z LAST-MODIFIED:20250617T130315Z UID:36096-1752760800-1752764400@www.psdi.ac.uk SUMMARY:Webinar - Small habits for big impact: three small steps to promote research transparency DESCRIPTION:Register here:  https://us06web.zoom.us/webinar/register/WN_QidltXrJS3Sn7uhyoKpcsw \nThis Webinar\, presented by Dr. Louise Saul\, offers a practical and focused approach to making Open Research more transparent and manageable. Aimed at physical scientists\, data managers\, research software engineers\, and academic librarians\, it introduces three simple\, actionable changes to embed transparency into research workflows\, with real-world examples\, habit-forming tips\, and space for discussion. \n \n \n \n \n \n Abstract\n​‘Open Research’ is a wastebasket term that encompasses transparency in the planning\, dissemination\, and sharing of research outputs. Planning how to make your outputs transparent can feel like an overwhelming box-ticking exercise\, which is why this webinar focuses on ‘3 simple things’ – three ways small changes you can implement to promote the transparency of your research. This webinar will be focused on outputs from physical sciences and aims to introduce ways in which these practices can become habit. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n   \n  \nAfter completing her PhD in physical chemistry\, Louise worked a post-doctoral fellow at KCL\, Edinburgh\, and Southampton\, specialising in the role of interactions of proteins of the immune system in immune priming. She currently works as an Open Research Coordinator and Administrator with the UK Reproducibility Network’s Open Research Programme and the PSDI\, based at the Hartley Library in the University of Southampton. \n​ \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Register for this webinar\nRegister for this webinar directly through zoom:https://us06web.zoom.us/webinar/register/WN_QidltXrJS3Sn7uhyoKpcsw \n\n\n\n\n\n\n\n The PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/small-habits-for-big-impact/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250710T140000 DTEND;TZID=Europe/London:20250710T150000 DTSTAMP:20260407T100447 CREATED:20250616T122228Z LAST-MODIFIED:20250722T155110Z UID:36091-1752156000-1752159600@www.psdi.ac.uk SUMMARY:Webinar - Once upon a data steward DESCRIPTION:This Webinar\, presented by Dr. Samantha Pearman-Kanza\, explores the growing importance of data availability and management in modern research.  The session will also introduce the emerging role of the Data Steward\, a new type of digital Research Technical Professional (dRTP) who ensures data quality and usability throughout its lifecycle. The webinar also unveils CaSDaR (Careers and Skills for data-driven Research)\, a new four-year initiative designed to support and empower Data Stewards as central figures in the research lifecycle. \nThe recording of this webinar is now available on YouTube \n \n \n \n \n \n Abstract\n​Data availability and usage across all research domains is becoming exponentially more necessary as research methods transition into\, and more routinely embrace\, computation and advanced technologies. This research data growth presents unprecedented opportunities and challenges but requires investment in human expertise to maximize its potential. In many disciplines\, the expertise and effort required to make data FAIR (Findable\, Accessible\, Interoperable\, Reusable) is vastly underestimated. Project researchers frequently lack time or appropriate knowledge to do this\, resulting in substantial research data that are not fit for re-use. Ultimately\, this responsibility and expertise should not lie with researchers. Much like the rise of specialist roles such as research software engineers and data scientists\, there is a new specialist digital Research Technical Professional (dRTP) role that is gathering traction\, the Data Steward – they are the key to bridging the gap between data generation and reuse\, as they have a fundamental role that ensures the quality\, accuracy\, accessibility and longevity of data across the entire data lifecycle.  \nJoin me to hear about the importance of the role of data stewardship\, and to find out all about my brand new initiative CaSDaR (Careers and Skills for data-driven Research)\, a dedicated four year Network+ for Data Stewards that empowers them to play a central role in the research lifecycle. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n   \nDr Samantha Pearman-Kanza is Senior Enterprise Fellow at the University of Southampton. She is the Principal Investigator for the Careers and Skills for Data-driven Research Network\, and the Pathfinder Lead on Process Recording for the Physical Sciences Data Infrastructure (PSDI) Initiative – www.psdi.ac.uk. \nSamantha sits on the Advisory Boards for the Future Labs Live Conference in Basel\, London Labs Live in the UK\, the Machines Learning Chemistry Project at the University of Nottingham\, and the Knowledger Project at the University of North Florida\, in addition to being a member of the UK electronic information Group (UKeiG) STRIX Committee. She is also a regular columnist for the Lab Horizons Magazine under the name CompSci Cat\, discussing important issues around process recording and FAIR data.  Samantha’s key research areas are ELNs\, process recording\, FAIR data\, data stewardship and research data management\, and semantic web technologies. \n​ \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\n\n\n You can watch the recording of this webinar via our YouTube channel. Slides are available on Zenodo. \nThe PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-once-upon-a-data-steward/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250708T100000 DTEND;TZID=Europe/London:20250708T163000 DTSTAMP:20260407T100447 CREATED:20250528T151434Z LAST-MODIFIED:20250707T112241Z UID:36068-1751968800-1751992200@www.psdi.ac.uk SUMMARY:Exploring Data Curation and Management in Physical Sciences: PSDI Roadshow @ Southampton DESCRIPTION:REGISTER FOR THIS EVENT\n \n \n \n \n \n Event Description\nThe Physical Sciences Data Infrastructure (PSDI)\, The University of Southampton\, and the Digital Curation Centre (DCC) are jointly hosting an in-person\, one-day event to explore data curation and data management in physical sciences. \nVia presentations and discussions\, the event will enable knowledge exchange around current practices\, challenges\, and future directions in the curation and management of research data in physical sciences\, as well as foster networking and collaboration. \nThe event will highlight PSDI’s work and\, importantly\, gather community input for identifying future priorities and activities that will support data management and curation in the physical sciences. \nThe event is part of the PSDI UK Roadshow on Data Curation and Data Management in Physical Sciences. Click here to see our Cambridge event. \nThis event is free to attend\, and lunch will be provided. Spaces are limited\, to guarantee a space please register by 1 July 2025! \n  \n  \nWho Should Attend?\nThis event is intended primarily for the academic research community in physical sciences\, including: \n\nData repository managers\nData stewards and data managers\nAcademic librarians and other research support professionals\nResearch technicians\nResearchers with an active interest in generating\, managing\, and reusing research data\nOther data professionals involved or interested in curating and managing data\n\nOur regional focus is on the Southampton area and southern England. \n  \nWhy Attend?\n\nExchange knowledge on data curation and data management in physical sciences in the era of automation and AI\nContribute your experience and perspective to help shape best practices and community guidelines\nConnect with professional peers in your discipline and region\nDiscover PSDI’s work\, influence its future priorities\, and learn how you can get involved\n\n  \nVenue Information\nLocation \nSir James Matthews Building\, University of SouthamptonAbove Bar Street\, Southampton\, SO14 7FQ \nNearest Train Station \nSouthampton Central Station (0.4 miles away). It is a 5-minute bus ride or an 11-minute walk. \n  \nWhat is PSDI?\nThe Physical Sciences Data Infrastructure (PSDI) aims to provide a data infrastructure that connects existing experimental and computational facilities within the physical sciences and beyond. In the long term\, PSDI aims to enable: \n\nA platform for data collection\, sharing\, aggregation\, integration\, and curation\nSupport for analysis across experimental\, simulation\, and reference data\nCombining and enhancing existing data infrastructures\nSustaining data resources beyond the lifespan of individual research projects\n\nClick here to sign up for PSDI events\, updates and how to get involved \n \n REGISTER FOR THIS EVENT\n \n \n \n \n \n Provisional Agenda\n \n \n \n \n \n \n\n\nTime\nSession\n\n\n09:30 – 10:00\n Registration & coffee\n\n\n10:00 – 10:10\nHousekeeping and meeting intro\n\n\n10:10 – 10:25\nDr Nicola Knight\, Introduction to PSDI\n\n\n10:25 – 10:45\nDr Samantha Pearman-Kanza\, Putting the R into FAIR Data – The complexities of FAIR data and the importance of Data Stewardship in the Physical Sciences\n\n\n10:45 – 11:30 \nDrs Cerys Willoughby & Louise Saul\, Data Management Plans for the physical sciences\n\n\n11:30 – 11:45\nCoffee break + networking\n\n\n11:45 – 12:05\nDr Aileen Day\, Plugging Physical Sciences research data into PSDI via metadata and standards – why and how?\n\n\n12:05 – 12:25\nDr Louise Saul\, Data stewardship and the role of technicians/research technical professionals\n\n\n12:25 – 13:25\nLunch\n\n\n13:25 – 13:45\nDr Matthew Partridge\, Balancing Trust and Verification: Data auditing as the backbone of reliable chemistry data\n\n\n13:45 – 14:05\nDr Richenda Houseago-Stokes\, Oceanographic Data Management\n\n\n14:05 – 14:25\nLightning talks\n\n\n14:25 – 15:10\nBreakout discussion session 1\n\n\n15:10 – 15:25\nCoffee break + networking\n\n\n15:25 – 16:10\nBreakout discussion session 2 URL:https://www.psdi.ac.uk/event/exploring-data-curation-and-management-in-physical-sciences-psdi-roadshow-southampton/ LOCATION:Sir James Matthews Building\, University of Southampton\, Southampton\, SO14 7FQ\, United Kingdom CATEGORIES:Workshop END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250625T100000 DTEND;TZID=Europe/London:20250625T163000 DTSTAMP:20260407T100447 CREATED:20250528T113758Z LAST-MODIFIED:20250624T095413Z UID:36061-1750845600-1750869000@www.psdi.ac.uk SUMMARY:Exploring Data Curation and Management in Physical Sciences: PSDI Roadshow @ Cambridge DESCRIPTION:REGISTER\nEvent Description\nThe Physical Sciences Data Infrastructure (PSDI)\, the Cambridge Crystallographic Data Centre (CCDC)\, and the Digital Curation Centre (DCC) are jointly hosting an in-person\, one-day event to explore data curation and data management in physical sciences. \nVia presentations and discussions\, the event will enable knowledge exchange around current practices\, challenges\, and future directions in the curation and management of research data in physical sciences\, as well as foster networking and collaboration. \nThe event will highlight PSDI’s work and\, importantly\, gather community input for identifying future priorities and activities that will support data management and curation in the physical sciences. \nThe event is part of the PSDI UK Roadshow on Data Curation and Data Management in Physical Sciences. Click here to see our Southampton event. \nEvent is free to attend\, and lunch will be provided. But spaces are limited\, so please make sure you register here. \nFor any questions\, please contact us at psdi@soton.ac.uk. \n  \nWho Should Attend?\nThis event is intended primarily for the academic research community in physical sciences\, including: \n\nData repository managers\nData stewards\nAcademic librarians and other research support professionals\nResearch technicians\nResearchers with an active interest in generating\, managing\, and reusing research data\nOther data professionals involved or interested in curating and managing data\n\nOur regional focus is on the Cambridge area and surrounding regions. \n  \nWhy Attend?\n\nExchange knowledge on data curation and data management in physical sciences in the era of automation and AI\nContribute your experience and perspective to help shape best practices and community guidelines\nConnect with professional peers in your discipline and region\nDiscover PSDI’s work\, influence its future priorities\, and learn how you can get involved\n\n  \nVenue Information\nCambridge Crystallographic Data Centre\, 12 Union Road\, Cambridge CB2 1EZ\, UK \nTravel Directions \nLocate venue on Google Maps \nUniversity of Cambridge | Campus Map \n  \nWhat is PSDI?\nThe Physical Sciences Data Infrastructure (PSDI) aims to provide a data infrastructure that connects existing experimental and computational facilities within the physical sciences and beyond. In the long term\, PSDI aims to enable: \n\nA platform for data collection\, sharing\, aggregation\, integration\, and curation\nSupport for analysis across experimental\, simulation\, and reference data\nCombining and enhancing existing data infrastructures\nSustaining data resources beyond the lifespan of individual research projects\n\nClick here to sign up for PSDI events\, updates and how to get involved \nREGISTER \n  \n \n \n \n \n \n Event Agenda\n \n \n \n \n \n \n\n\nTime\nSession\n\n\n09:30 – 10:00 \nRegistration & coffee \n\n\n10:00 – 10:10\nCian Dingle\, CCDC\, “Welcome and Housekeeping”\n\n\n10:10 – 10:25\nCerys Willoughby\, University of Southampton\, “PSDI Introduction”\n\n\n10:25 – 10:30\n Ian Bruno\, CCDC\, “Context: Data Curation Guidelines”\n\n\n10:30 – 10:45\nJennifer Gibson\, Dryad\, “Dryad: A case study in open data publishing for all fields”\n\n\n10:45 – 11:05\nKiera McNeice\, Cambridge University Press\, “Why research data matters to publishers”\n\n\n11:05 – 11:25\nClair Castle\, Research Data Management\, Cambridge University\, “Helping researchers to be FAIR: an institutional repository perspective”\n\n\n11:25 – 11:40\nCoffee break + networking \n\n\n11:40 – 12:00\nChuck Cook\, Global Biodata Coalition\, “Data curation in the life sciences”\n\n\n12:00 – 12:15\nCerys Willoughby\, University of Southampton\, “Data accessibility in the chemical sciences: an analysis of recent practice in organic chemistry journals”\n\n\n12:15 – 12:40\nLightning talks + brief discussion\n\n\n12:40 – 13:25\nNetworking lunch \n\n\n13:25 – 13:40\nIan Bruno\, CCDC\, “Streamlining Data Curation: Lessons from Crystallography”\n\n\n13:40 – 14:25\n\nCerys Willoughby\, University of Southampton\, “Data Management Plans in Physical Sciences” \n\n\n\n14:25 – 15:10\nBreakout discussion session 1\n\n\n15:10 – 15:25\nCoffee break + networking \n\n\n15:25 – 16:10\nBreakout discussion session 2\n\n\n16:10 – 16:25\nClosing remarks and next steps URL:https://www.psdi.ac.uk/event/exploring-data-curation-and-management-in-physical-sciences-psdi-roadshow-cambridge/ LOCATION:Cambridge Crystallographic Data Centre\, 12 Union Road\, Cambridge CB2 1EZ\, Cambridge Crystallographic Data Centre\, 12 Union Road\, Cambridge\, CB2 1EZ\, United Kingdom CATEGORIES:Workshop END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250529T140000 DTEND;TZID=Europe/London:20250529T150000 DTSTAMP:20260407T100447 CREATED:20250502T110547Z LAST-MODIFIED:20250723T092512Z UID:36025-1748527200-1748530800@www.psdi.ac.uk SUMMARY:Webinar - Open Science Explained: Why it Matters and How to Get Started DESCRIPTION:This Webinar\, presented by Dr. Cerys Willoughby\, provides an introduction to Open Science. The session will explore the core principles of Open Science\, highlighting the role of infrastructures like PSDI in driving progress. \nThe recording of this webinar is now available on YouTube \n \n \n \n \n \n Abstract\n​Just this month\, yet another significant study highlighted a major challenge in scientific research—the inability to replicate or validate a significant portion of published findings. Since science builds upon previous discoveries\, this issue has serious implications for the whole of science\, with fields ranging from medicine to environmental science reliant on trustworthy data to make critical decisions. New researchers often struggle due to incomplete methods and inaccessible research data\, making it difficult to reproduce experiments or advance knowledge. Many scientific findings remain locked behind paywalls\, with crucial details buried in supplementary files or restricted due to intellectual property concerns. While AI holds great promise for accelerating scientific progress\, much of the research landscape remains inaccessible or formatted in ways that machines cannot process effectively. Open science offers a solution by promoting transparency\, accessibility\, and collaboration. By making research freely available\, ensuring methods are detailed enough for replication\, and structuring data in machine-readable formats\, we can address this reproducibility crisis in science just when we need it the most. \nThis Webinar provides an introduction to Open Science\, a game-changer for researchers and society at large – if only we can persuade the science community to engage.  The session will explore the core principles of Open Science\, highlighting the role of infrastructures like PSDI in driving progress. We’ll explore how Open Science promotes accessibility\, ensuring that research is available not just to scientists but to everyone\, fostering transparency\, collaboration\, and meaningful discussions on critical issues. The webinar will showcase successful examples of Open Science in action and examine its impact. Additionally\, we’ll discuss practical steps for making science more open\, including the significance of FAIR principles. Finally\, we’ll identify key stakeholders and explore ways to cultivate a collaborative research culture. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Dr. Cerys Willoughby is a Senior Research Fellow at the University of Southampton. Cerys has been collaborating with the School of Chemistry and Chemical Engineering at Southampton for nearly 20 years after working as a usability expert for IBM. She has had involvement in various projects focusing on how technology can be used to support researchers in the physical sciences. Her research interests include record-keeping and process recording in science\, digital notebooks and ELNs\, data management and curation\, metadata capture\, researcher behaviour\, and storytelling in science.  \n​ \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our YouTube channel. Slides are available on Zenodo. \n\nThe PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-open-science-explained/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250520T100000 DTEND;TZID=Europe/London:20250520T160000 DTSTAMP:20260407T100447 CREATED:20250429T150440Z LAST-MODIFIED:20250517T153936Z UID:35996-1747735200-1747756800@www.psdi.ac.uk SUMMARY:How to solve a problem like Electronic Research Notebooks: a community ERN discussion DESCRIPTION:Register now to join us for a dedicated event exploring the implementation and best practices of Electronic Research Notebooks (ERNs) in academic environments. This event is designed for researchers\, IT specialists\, and administrators who have experience implementing ERN systems or are considering doing so. The event will be a mixture of presentations\, discussions and lightning talks. \nWhy should you attend?   \nOver the last decade there has been a slow shift from using paper notebooks to considering the wide plethora of digital solutions out there; but with hundreds of tools to choose from\, and a range of socio-technical barriers\, implementing these tools is no mean feat. We will be exploring the challenges\, implementation considerations and best practices of Electronic Research Notebooks in academic environments. This is the first event of a series of future discussions around this area. \nWhat will the event involve? \nThis event will host: \n\nA mixture of presentations on key aspects of ERN implementation and associated projects working in this field\nLightening talks from participants to demonstrate different implementations and considerations across their domains and institutions\nA rich set of discussions to facilitate knowledge sharing and elicit the key challenges and advice for best practice.\n\n\n \n \n \n \n \n Outline Agenda\n10:00 – 10:15 Registration + coffee10:15 – 10:25 Housekeeping + Intro10:25 – 11:15 Introduction to the barriers + considerations + interactive discussion session11:15 – 11:30 Break11:30 – 12:15 Participant talks * 312:15 – 13:15 Lunch + networking13:15 – 13:45 Participant talks * 213:45 – 14:15 Lightning talks14:15 – 14:25 Break14:25 – 14:55 Discussion on ERNs & Associated Tools14:55 – 15:45 ERN community revival15:45 – 16:00 Next steps and wrap up \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n See below for talk abstracts and speaker bios. \n \n \n \n \n \n Introduction to barriers + considerations - Samantha Pearman-Kanza\n Dr Samantha Pearman-Kanza\, Senior Enterprise Fellow – University of Southampton \nAbstract: With the ever increasing realisation that a majority of scientific research data that is published is not “FAIR” (Findable\, Accessible\, Interoperable\, Reusable) there has been a strong push in recent years to implement digital tools such as Electronic Research Notebooks (ERNs) to combat this. However\, implementing ERNs is no mean feat\, it is a sociotechnical challenge with a range of barriers and considerations that need to be taken into account if this is to be achieved successfully. This session will start with a presentation by Dr Samantha Pearman-Kanza on these barriers and challenges\, and progress into a discussion session to understand the wider community challenges. \nBio: I am a Senior Enterprise Fellow at the University of Southampton. I am the Principal Investigator for the Careers and Skills for Data-driven Research Network\, and the Pathfinder Lead on Process Recording for the Physical Sciences Data Infrastructure (PSDI) Initiative – www.psdi.ac.uk. My research encompasses all aspects of research data management and process recording across the entire research lifecycle\, from the use of digital tools for scientists (including electronic lab notebooks)\, automatic metadata extraction\, creating and enabling FAIR data and processes\, semantic web technologies\, ethical considerations of data and AI\, and the role of voice and IoT technologies in the lab of the future. \n \n \n \n \n \n Attempting the impossible: choosing an ERN for 10\,000 users - James Bird\n Dr James R.T. Bird\, Technical Specialist\, University of Manchester \nBio: James joined the University of Manchester’s Research Lifecycle Programme (RLP) as a Technical Specialist in December 2023\, where he has been tasked with centrally implementing at least one electronic research notebook (ERN) with integrated inventories\, where appropriate\, to fit the needs of researchers across the breadth of the University. After being awarded his Doctorate in the Science and Technology of Fusion Energy in April 2024\, also at the University\, he’s keen to enhance the available research data management software. Previously\, James has been a teaching assistant\, a nanomaterials research scientist (in industry)\, and a chemist. ORCiD: https://orcid.org/0000-0002-5299-8816 \n \n \n \n \n \n Recent experiences of starting an ERN/ELN journey with an Academic Institute & Biotechs/pharma - Nick Lynch\n Nick Lynch\, Data lead Curlew Research \nRecent experiences of starting an ERN/ELN journey with an Academic Institute & Biotechs/pharma using examples of ERN/ELN adoption to show some important steps during the key selection process \nBio: Nick has >25 years experience in Life Science Informatics and was at AstraZeneca leading teams in R&D Informatics\, working especially on global integration & data projects within pre-clinical & early clinical research\, externalisation & data exchange for the AZ research activities. Now running Curlew Research supporting biopharma and life science orgs with their data strategy\, ML/AI and informatics challenges. With all our projects\, feel the business change is a key element as important as the technology\, data and process. \n \n \n \n \n \n RSpace at UCL: Why we did it\, how we did it\, what we've learnt\, and how it's going - James Wilson\n Dr James A J Wilson\, Head of Research Data Services\, Advanced Research Computing\, University College London \nAbstract: In 2020\, UCL decided that the time was right to take the plunge and invest in an institutional Electronic Research Notebook. Now\, in 2025\, we offer our researchers a fully featured ERN free at the point of use and increasingly widely adopted. This is the story of why that decision was made when it was\, what we were looking for\, and how things have been going since. \nBio: Since April 2016\, James has been Head of Research Data Management Services at UCL\, based in UCL’s Centre for Advanced Research Computing (ARC). James’s role involves the development and support of the institutional research data services. He leads a team of fifteen research data stewards with expertise in various fields and technologies who collaborate with research teams and academic departments across the university to help ensure data is well managed and as FAIR as possible. \n \n \n \n \n \n Pitfalls of templates for ERNs - Cerys Willoughby\n Dr Cerys Willoughby\, University of Southampton \nAbstract: Templates are commonly used in electronic research notebooks\, and ELNs in particular\, to enable consistency in experiment recording. Although there are some positive benefits to using templates\, there can also be some unexpected effects. In this presentation I’ll talk about the findings from some research looking at how relatively subtle changes in the interfaces chemists use to record their experiments can have some big effects\, why we should worry about this\, and some strategies to help. \nBio: Dr. Cerys Willoughby is a Senior Research Fellow at the University of Southampton. Cerys has been collaborating with the School of Chemistry and Chemical Engineering at Southampton for nearly 20 years after working as a usability expert for IBM. She has had involvement in various projects focusing on how technology can be used to support researchers in the physical sciences. Her research interests include record-keeping and process recording in science\, digital notebooks and ELNs\, data management and curation\, metadata capture\, researcher behaviour\, and storytelling in science.  \n \n \n \n \n \n Discussion on ERNs & Associated Tools\n There are hundreds of Electronic Research Notebook tools\, ranging from large scale ones that support complex domain specific operations and thousands of users\, to small generic tools that provide simple notetaking capabilities. Choosing which tools to implement and how to implement them is extremely tricky. This session will discuss what tools the community are using\, and how well they work within their institutions.  \n \n \n \n \n \n ERN Community Revival\n The notion of using Electronic Research Notebooks is becoming more and more important as the amount of data we produce increases\, and yet we are sorely lacking in a community to share knowledge about how to achieve this. We are looking to re-establish the JISC ERN community to provide a space for everyone involved in this work to provide this space. This session will discuss how such a community could best serve both the individuals and organisations working in this area. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n 💥 BONUS CONTENT 💥 \nPSDI are involved in plans to resurface the JISC Research Notebooks Community to provide a platform for the entire ERN community to facilitate discussions about issues\, implementation stories\, case studies\, and suggestions for best practice. As part of this event\, we’ll discuss how we can reinvigorate and use this group to better serve our ERN community. \n🎟️ Register to join in person or you can join us online! \nWho will be attending? \nThis event welcomes individuals who have experience of implementing ERN systems (whether successful or not!) or are actively considering undertaking such an implementation. Therefore\, our audience will include: \n\nResearchers\nIT specialists\nLibrary staff\nAdministrators\n\n🚫 Please Note: This event is focused on practitioners and institutions. ERN/ELN vendors offering solutions should keep an eye out for opportunities at future events. URL:https://www.psdi.ac.uk/event/ern-may2025/ LOCATION:UCL London & Online CATEGORIES:Workshop END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250331T120000 DTEND;TZID=Europe/London:20250404T140000 DTSTAMP:20260407T100447 CREATED:20241030T172807Z LAST-MODIFIED:20250124T162158Z UID:35318-1743422400-1743775200@www.psdi.ac.uk SUMMARY:Chemical and materials machine learning school 2025 DESCRIPTION:Date of Event: 31st March 2025 12:00 – 4th April 2025 14:00\nLocation: Daresbury Laboratory\, in person event\nFee: £350 (covers 4 nights accommodation and catering) – if we secure additional sponsorship this fee will be reduced\nPre-requisites: Students will be expected to bring their own laptop\, to have a decent level of coding experience (see pre-requisites below) and provide a letter of support from their supervisor\n\nAll places for the school have now been finalised\, we look forward to hosting you soon. Thank you to everyone who applied. \n \n \n \n \n \n Description\nThis machine learning for materials training course is being run by the Physical Sciences Data Infrastructure (PSDI) initiative in collaboration with AIchemy\, with support from STFC-SCD\, PSDS\, CCP5 and CCP9 as a follow up to the very popular 2023 Machine learning for Atomistic Modelling Autumn School. This training is targeted towards PhD students\, in particular those 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 for the atomistic simulation of materials. \nThis training will encompass a number of talks and practical sessions\, focusing on the basics of machine learning\, machine learning interatomic potentials and graph neural networks. There will also be the opportunity for attendees to present a poster on their work. \n \n \n \n \n \n Learning outcomes\n\nAwareness of the state-of-the-art methods for machine learning for atomistic and molecular simulations\nHands on experience of using machine learning for atomistic and molecular simulations\n\nOutline Agenda – Draft\n \n \n \n \n \n \n\n\nSessions\nMonday\nTuesday\nWednesday\nThursday\nFriday\n\n\nMorning \n \nDescriptors\nNNs\nMLIPs general\nGenerative models\n\n\nAfternoon\nIntro to ML\nUnsupervised ML\nGNNs\nMLIPs – molecules/ materials\n \n\n\nEvening\nResearch talk – Kim Jelfs\nPosters\nBBQ\nResearch talk – Nong Arthrith\n \n\n\n\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Pre-requisites\nStudents attending this course must already have a foundational level of Python experience and hands on experience of using Python in their research. You will be expected to provide your own laptop for the training course\, although software installation will not be required. A letter of support will be required from your supervisor alongside your application\, this will be requested by email following your application. This letter of support is to show the backing of your supervisor to attend the training and must be completed for your application to be assessed.  \nTimelines & Fees\nThe application deadline is 1st December 2024. Supervisors will be contacted for a letter of support following your application. All letters of support must be submitted by 6th December. You will be informed of the outcome of your application on 13th January 2025\, you will have to accept your place within 1 week and payment is required by 16th February 2025.  \nFood and 4 nights accommodation (Travelodge Warrington) is included in the £350 fee paid for this event\, travel to Daresbury (and public transport to /from the lab) is not included and will need to be covered by the attendee. If we are able to secure additional sponsorship for this event we will reduce the fee. 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.   \n \n \n \n \n \n All places for the school have now been finalised\, for those attending please ensure your payment is made promptly \n \n \n \n \n \n Organising Committee \n\nAlin-Marin Elena\, Scientific Computing Department STFC \nKeith Butler\, University College London\nReinhard Maurer\, University of Warwick \nKim Jelfs\, Imperial College London \nAlex Ganose\, Imperial College London\nIoan-Bogdan Magdău\, Newcastle University\nChris Mellor\, Imperial College London\nNicola Knight\, University of Southampton  URL:https://www.psdi.ac.uk/event/cammls-2025/ LOCATION:Daresbury Laboratory\, Keckwick Lane\, Daresbury\, WA4 4AD\, United Kingdom CATEGORIES:Training END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250313T100000 DTEND;TZID=Europe/London:20250314T170000 DTSTAMP:20260407T100447 CREATED:20250220T134405Z LAST-MODIFIED:20250327T192429Z UID:35501-1741860000-1741971600@www.psdi.ac.uk SUMMARY:Units\, Symbols\, and Terminology in the Physical Sciences in and for the Digital Era DESCRIPTION:The aim of the meeting is to bring together several groups who are trying to combat similar problems – how to bring the standards for scientific nomenclature and terminology into the digital age. \nThere will be representatives from: \nPSDI – Physical Sciences Data InfrastructureCODATA DRUM Task Group – Digital Representation of Units of MeasureIUPAC Green Book – Quantities\, Units\, and Symbols in Physical ChemistryIUPAC Gold Book – Compendium of Chemical Terminology \nThe format of the conference will be similar to a workshop. There will be plenary talks covering ideas from the Philosophy of Chemistry\, through Metadata\, to the use of the Semantic Web in Science. There will be plenty of opportunities for the individual projects to work on their current issues\, compare notes with other projects\, and see what comment agendas there are. \nAttendance by invitation only – if you are interested in this event please email psdi@soton.ac.uk URL:https://www.psdi.ac.uk/event/ust-03-13/ LOCATION:Royal Society of Chemistry\, Burlington House\, London\, Piccadilly\, W1J 0BA CATEGORIES:Workshop END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250312T080000 DTEND;TZID=Europe/London:20250312T170000 DTSTAMP:20260407T100447 CREATED:20250430T131440Z LAST-MODIFIED:20250430T131447Z UID:36005-1741766400-1741798800@www.psdi.ac.uk SUMMARY:Polymer workshop – FAIR access for everyone DESCRIPTION:Are you interested in advancing the realms of polymer science?  We are developing a national infrastructure focused on polymer data – both experimental and computational – to act as a FAIR (findable\, accessible\, interoperable and resusable) repository\, in conjunction with the EPSRC-funded Physical Sciences Data Infrastructure (PSDI).  We want to hear from you about what sort of data we should store\, what data formats that are useful\, what challenges you face with data archiving\, and what data-based tools and predictors would help you in your work.  Ultimately\, we’d like to create minimum standards for polymer characterisation and help polymer scientists to be able to store their data securely and centrally to more easily meet funder and publisher data mandates. \nOur pathfinder partners at Loughborough University are running a free one-day workshop on Wednesday 12th March\, 2025 at Holywell Conference centre\, Loughborough University\, to hear your views. You’ll be able to help shape the national vision for useful polymer data and data sets\, along with other like-minded people.  Places are limited\, so please complete the registration form https://forms.office.com/e/3q4y9SaaDc if you are interested in attending.  For any queries\, please email a.k.croft@lboro.ac.uk Further details will follow in due course. We look forward to welcoming you to Loughborough! URL:https://www.psdi.ac.uk/event/polymer-workshop/ LOCATION:Loughborough University CATEGORIES:Workshop END:VEVENT BEGIN:VEVENT DTSTART;VALUE=DATE:20250305 DTEND;VALUE=DATE:20250307 DTSTAMP:20260407T100447 CREATED:20241211T145428Z LAST-MODIFIED:20250430T143120Z UID:35402-1741132800-1741305599@www.psdi.ac.uk SUMMARY:Research Data in the Physical Sciences: A Forum for Librarians and Research Support Professionals DESCRIPTION:ABOUT THE EVENT\nThe Physical Sciences Data Infrastructure (PSDI) and the Digital Curation Centre (DCC) are delighted to invite you to this in-person forum designed for data librarians and research support professionals working within the physical sciences across the UK and EU. This event will be hosted at the John McIntyre Conference Centre from approx. 10.30am on 5th March to 3pm on the 6th March.  \nOver two days\, attendees will engage in knowledge exchange\, community discussions\, and networking opportunities\, all centred on the challenges\, opportunities\, and emerging solutions in research data management for the physical sciences.  \nWith keynote presentations\, poster sessions\, lightning talks\, demonstrations\, and interactive discussions\, the event aims to foster collaboration and innovation. By connecting professionals in academia\, industry\, and support roles\, we hope to create a vibrant community dedicated to enabling frictionless data sharing\, open collaboration\, and a digitally integrated research ecosystem.  \nThis event will also showcase the work of PSDI and seek input from the community to guide future priorities.  \n \n \n \n \n \n WHO SHOULD ATTEND\nThis forum is ideal for anyone directly supporting research data in physical sciences research across the UK and EU\, including:  \n\n\nAcademic data librarians and research support professionals\nIndustry research support professionals\nAcademic researchers with a strong interest in research data\n\n\n \n \n \n \n \n WHY ATTEND?\n\nConnect with peers across academia and industry. \nExchange knowledge on best practices\, tools\, and strategies. \nContribute your experience and work through posters / talks \nDiscover PSDI’s work and influence its future priorities. \nGain insights into the evolving role of research support in the physical sciences. \n\n \n \n \n \n \n WORKSHOP AGENDA OUTLINE\n\n\n\n\nDay 1 – Wednesday 5th March  \n10:15 – 10:30 Registration \n10:30 – 10:45 Housekeeping + Meeting intro \n10:45 – 11:15 Introduction to the Physical Sciences Data Infrastructure \n11:15 – 11:40 Making data FAIR in the Life Sciences \n11:40 – 12:05 Lightning talks \n12:05 – 12:15 Q&A / discussion \n12:15 – 13:25 Lunch + poster session \n13:25 – 13:50 Trustworthy Research Data: Lowering Barriers to Publication and Reuse \n13:50 – 14:45 Breakout Discussion session 1 \n14:45 – 15:15 Coffee + networking Break \n15:15 – 16:00 Panel session \n16:00 – 16:30 Lightning talks \n16:30 – 17:00 Discussion \n17:00 – Meeting close \n18:30 – 21:30 Dinner (tbc) \n\n\nDay 2 – Thursday 6th March  \n09:15 – 09:30 Refreshments \n09:30 – 10:05 Lightning talks \n10:05 – 10:30 The Careers and Skills for Data-Driven Research (CaSDaR) Network+ Empowering Data Stewards for Research Excellence  \n10:30 – 11:00 Coffee + Networking Break \n11:00 – 12:10 Breakout Discussion session 2 \n12:10 – 13:25 Lunch + poster session \n13:25 – 13:50 The Cross-Domain Interoperability Framework (CDIF) and Physical Sciences Data Infrastructures \n13:50 – 14:30 Breakout Discussion session 3 \n14:30 – 15:00 Summary and close of meeting \n  \n  \n  \n  \n  \n\n\n\n\n  \n \n \n \n \n \n INVITED SPEAKERS\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Elizabeth Newbold – Science and Technology Facilities Council (STFC)\nIntroduction to the Physical Sciences Data Infrastructure An introduction to PSDI from the perspective of a research support professional. \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Robert Andrews – Cardiff University\nMaking data FAIR in the Life Sciences ELIXIR-UK is the UK node of a pan-European infrastructure over 240 research institutes\, enabling researchers to access and analysis life science data.  Recent activities in data stewardship have focused on the sharing and reuse of data following the FAIR principles.  I talk about FAIR and FAIRification of research data and how we embed and signpost good FAIR data practices in UK universities and institutes. \nDr Robert Andrews sits on the management board of ELIXIR-UK\, a national organisation of 28 UK universities bringing together life science data and resources from across UK and Europe.  He has co-led a national Data Steward Fellowship in the life sciences\, and is a stakeholder in BioFAIR\, a UKRI funded federated digital research infrastructure (£34million over 5 years). Before his current role\, he was Head of Genotyping at the Wellcome Trust Sanger Institute managing a multidisciplinary team generating data for the human 1000 genomes project and UK10K. \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Cian Dingle – CCDC\nTrustworthy Research Data: Lowering Barriers to Publication and Reuse What is required for a research data repository to be considered trustworthy? How can we assess whether it meets the necessary standards for reliability? The TRUST Principles and the CoreTrustSeal requirements provide key guidance for addressing these questions. This presentation will explore these guidelines in the context of the Cambridge Structural Database\, a long-established repository of crystal structure data. It will highlight how data standards\, robust infrastructure\, expert curation\, and community engagement enable the lowering of barriers to the sustainable publication and reuse of trustworthy research data in the physical sciences. \nCian Dingle has worked as a Deposition Coordinator within the Data and Community team at the Cambridge Crystallographic Data Centre (CCDC) for almost 4 years\, contributing to the acquisition and preparation of data for scientific curation. He also finds time to work on some of the data initiatives undertaken by the CCDC\, including activities that have led to the Cambridge Structural Database being certified as a Trustworthy Data Repository by CoreTrustSeal. \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Samantha Pearman-Kanza – University of Southampton\nThe Careers and Skills for Data-Driven Research (CaSDaR) Network+ Empowering Data Stewards for Research Excellence The amount of data generated by research\, is growing at an exponential rate. And yet\, so much of this data is unusable\, due to the lack of expertise\, tools\, and resources for effective data management. Data Stewards are the key to bridging the gap between data generation and reuse\, as they have a fundamental role that ensures the quality\, accuracy\, accessibility and longevity of data across the entire data lifecycle. We place great value in data\, but the current investment in the time and resources to drive forward data excellence is sorely lacking\, and best practice like FAIR cannot be implemented without investing in data stewards. So\, this is where CaSDaR comes in! We are a brand new Network+\, launching in April 2025 and our goal is to establish a diverse\, inclusive\, self-sustaining community of Data Stewards and to create a model for data steward support systems within research intensive institutions\, thereby clarifying their role and integration within the research data lifecycle. This talk will introduce CaSDaR and our plans for the next four years\, and explain how you can get involved! \nDr Samantha Pearman-Kanza is a Senior Enterprise Fellow at the University of Southampton. She is a Pathfinder Lead on Process Recording for the Physical Sciences Data Infrastructure (PSDI) Initiative. Samantha works in the interdisciplinary research area of applying computer science techniques to the scientific domain\, specifically through the use of semantic web technologies and artificial intelligence. Her research includes looking at electronic lab notebooks and smart laboratories\, to improve the digitization and knowledge management of the scientific record using semantic web technologies; and using IoT devices in the laboratory. \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Simon Hodson – CODATA\nThe Cross-Domain Interoperability Framework (CDIF) and Physical Sciences Data Infrastructures. The Cross Domain Interoperability Framework (CDIF) is a set of practical\, implementation-level principles designed to improve data management practices within any community and lower the barriers to cross-domain data reuse. CDIF offers standards and methodologies for achieving different levels of interoperability necessary for reusing data across diverse domains. It is built around five core profiles that address the essential functions for implementing cross-domain FAIR principles. This talk will describe the genesis\, current status and next steps for CDIF\, and outline current work to implement the approach for XAS data. Finally\, opportunities to explore CDIF implementation with physical sciences data infrastructures will be discussed. \nSimon Hodson is an expert on data policy issues and research data management.  Most recently\, he was coordinator of the groundbreaking WorldFAIR project\, which is now being extended as an international collaborative initiative\, WorldFAIR+\, to advance the development and implementation of the Cross-Domain Interoperability Framework (CDIF). Simon has a strong research background\, as well as considerable project and programme management experience: from 2009 to 2013\, as Programme Manager\, he led two successful phases of Jisc’s innovative Managing Research Data programme in the UK. \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n APPLY TO ATTEND\nThis event will be free to attend\, but spaces are limited. We have allocated most of the places but still have a few spots available. Applications will be assessed as they are submitted and we will let you know the outcome as soon as we can. Some financial assistance for travel and accommodation may still be available. \nApply to attend here \nJoin us to help shape the future of research data in the physical sciences. Let’s work together to build a stronger\, more connected community.  \n\n\n\n\n\n\n\nWe look forward to seeing you at the forum\, if you have any questions you can always get in contact with us.  URL:https://www.psdi.ac.uk/event/research-data-forum-2025/ LOCATION:Edinburgh\, UK CATEGORIES:Workshop END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250227T140000 DTEND;TZID=Europe/London:20250227T150000 DTSTAMP:20260407T100447 CREATED:20250212T144620Z LAST-MODIFIED:20250617T082654Z UID:35489-1740664800-1740668400@www.psdi.ac.uk SUMMARY:Webinar: Universal Usability DESCRIPTION:This Webinar\, presented by Dr. Cerys Willoughby\, explores the fundamental principles of usability and accessibility\, emphasizing their vital role in designing effective and user-friendly tools. We’ll address the diverse needs of different user groups and how accommodating these needs enhances software usability for everyone. Through this webinar\, you’ll discover best practices and design guidelines\, illustrated with examples of both successful and flawed design practices. \n \n \n \n \n \n Abstract\nThe significance of code and software in scientific research is rapidly growing. With the rise of open science and the FAIR principles\, researchers are no longer developing tools solely for their own use but are now also required to share their code and software along with their data for validation and reuse by others. In the past\, it was often acceptable to develop tools that were complex and challenging to use\, assuming that users would possess advanced software engineering skills\, be prepared to navigate steep learning curves\, and be capable of working around bugs in the code. In the present\, such expectations are unreasonable\, and there are numerous compelling reasons to create user-friendly tools and software for the scientific community. Usable software not only leads to wider adoption\, but also increases trust in both the software and the data it generates. The scientific community is large and diverse\, with a wide range of needs to consider to ensure research tools\, platforms\, and methods are accessible to everyone\, regardless of their abilities. Designing with all users in mind not only fosters inclusivity and enhances participation but also benefits everyone. By prioritizing universal usability\, researchers can ensure their tools have a wider impact and contribute more effectively to the scientific community. \nThis Webinar explores the fundamental principles of usability and accessibility\, emphasizing their vital role in designing effective and user-friendly tools. We’ll address the diverse needs of different user groups and how accommodating these needs enhances software usability for everyone. Through this webinar\, you’ll discover best practices and design guidelines\, illustrated with examples of both successful and flawed design practices. \nWe’ll delve into user research techniques that help you better understand your users and gather valuable insights into their needs. Additionally\, you’ll learn about various methods of usability testing\, including prototyping and iterative design\, which allow for faster feedback on your interfaces. We’ll also discuss essential tools and resources for evaluating the usability and accessibility of your designs\, and examine emerging trends in universal usability \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n ​Dr. Cerys Willoughby is a Senior Research Fellow at the University of Southampton. Cerys has been collaborating with the School of Chemistry and Chemical Engineering at Southampton for nearly 20 years after working as a usability expert for IBM. She has had involvement in various projects focusing on how technology can be used to support researchers in the physical sciences. Her research interests include recordkeeping and process recording in science\, digital notebooks and ELNs\, data management and curation\, metadata capture\, researcher behaviour\, and storytelling in science. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our Youtube channel and slides are available on Zenodo. \nThe PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-universal-usability/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20250130T140000 DTEND;TZID=Europe/London:20250130T150000 DTSTAMP:20260407T100448 CREATED:20241220T143444Z LAST-MODIFIED:20250617T082509Z UID:35425-1738245600-1738249200@www.psdi.ac.uk SUMMARY:Webinar: Green Algorithms\, Green DiSC and GREENER Principles: Making Computational Science more Environmentally Sustainable DESCRIPTION:Through the prism of the GREENER principles for environmentally sustainable science\, this webinar will discuss what has been learnt so far and what hurdles still exist. \n \n \n \n \n \n Abstract\nFrom genetic studies and astrophysics simulations to AI\, scientific computing has enabled amazing discoveries and there is no doubt it will continue to do so. However\, the corresponding environmental impact is a growing concern in light of the urgency of the climate crisis\, so what can we all do about it? Tackling this issue and making it easier for scientists to engage with sustainable computing is what motivated the Green Algorithms project. Through the prism of the GREENER principles for environmentally sustainable science\, we will discuss what we learned along the way\, how to estimate the impact of our work and what hurdles still exist. It will also be a chance to highlight how the new Green DiSC certification framework can support scientists and institutions in making their research more sustainable. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n   \nDr Loïc Lannelongue is a researcher at the University of Cambridge focusing on environmentally sustainable computing and based in the Heart and Lung Research Institute in Cambridge\, UK. He leads the Green Algorithms initiative which promotes more environmentally sustainable computational science. He also manages the Green DiSC certification framework for sustainable computing. His research interests also include radiogenomics\, i.e. combining medical imaging and genetic information with machine learning to better understand and treat cardiovascular diseases. He is a Software Sustainability Institute Fellow\, a Post-doctoral Associate at Jesus College\, Cambridge\, a visiting scientist at the European Bioinformatic Institute (EMBL-EBI) and an Associate Fellow of the Higher Education Academy. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our Youtube channel and slides are available on Zenodo. \n\n \n\n\n\nThe PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-green-algorithms/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20241212T140000 DTEND;TZID=Europe/London:20241212T150000 DTSTAMP:20260407T100448 CREATED:20241127T124427Z LAST-MODIFIED:20250210T144428Z UID:35382-1734012000-1734015600@www.psdi.ac.uk SUMMARY:Webinar: KnowLedger: An Open Ecosystem for Research Data Management DESCRIPTION:This hybrid seminar showcased the KnowLedger project that is currently in development. This seminar was presented Professor Stuart Chalk from the University of North Florida. \nThe recording of this webinar is now available on Youtube \n \n \n \n \n \n Abstract\nThe KnowLedger project is about the creation of an ecosystem to support the varied and ever evolving needs of the scientific research community. As such\, the project is focused on what needs to be built as part of the ecosystem (tools\, protocols\, services) and how should it be developed so that the research community is part of the team and can thus enable features they wish for a notebook to fit their research needs. This presentation will discuss the current approach on how to achieve KnowLedger\, how researchers can get involved\, and the timeline of the project. Attendees should think about the following question ‘What features would a research data management platform have for my research?’\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n   \nDr. Stuart J. Chalk is a Professor in the Department of Chemistry at the University of North Florida. Although trained as an analytical chemist\, Dr. Chalk’s research now focuses on the areas of Chemical Informatics and Data Science. In particular\, Dr. Chalk has projects focused on machine accessibility of solubility\, online enhancements to the IUPAC Gold Book\, automated extraction and annotation of chemical property data from PDF files\, and scientific data models. \nDr. Chalk received an NSF funded grant in 2019 focusing on semantic integration of heterogeneous datasets from toxicology\, medicine\, materials\, biodiversity\, and chemistry. His latest project\, “KnowLedger” a digital research notebook\, was funded by the National Institute of Standards and Technology (NIST) in June 2021. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our Youtube channel. Slides are available on zenodo. \n\n\n\n\n\n\n\nThe PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us.  URL:https://www.psdi.ac.uk/event/webinar-knowledger/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20241205T140000 DTEND;TZID=Europe/London:20241205T150000 DTSTAMP:20260407T100448 CREATED:20241122T151635Z LAST-MODIFIED:20250430T093113Z UID:35366-1733407200-1733410800@www.psdi.ac.uk SUMMARY:Webinar: Introduction to NOMAD DESCRIPTION:This webinar will showcase NOMAD’s applications in material synthesis\, characterization\, simulations\, and AI-driven research\, with a focus on solar cells\, heterogeneous catalysis\, and metal-organic frameworks. \nThe recording of this webinar is now available on Youtube \n \n \n \n \n \n Abstract\nIn materials science\, data-centric research requires advanced data management strategies. The NOMAD ecosystem\, developed by the NFDI consortium FAIRmat\, includes NOMAD\, NOMAD Oasis\, and NOMAD CAMELS\, applying FAIR principles (Findable\, Accessible\, Interoperable\, Reusable) to enhance research data management (RDM). These platforms support file sharing\, automated data extraction\, and customizable electronic lab notebooks. Deployed in a federated infrastructure\, they enable data interoperability and collaborative research. This presentation will showcase NOMAD’s applications in material synthesis\, characterization\, simulations\, and AI-driven research\, with a focus on solar cells\, heterogeneous catalysis\, and metal-organic frameworks. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n   \n  \nHampus Näsström got his PhD at Humboldt University of Berlin working on combinatorial synthesis of solar cell materials with a focus on high-throughput experimentation and lab automation. With his domain knowledge in material synthesis and technical expertise in large data management and analysis pipelines he started working at the FAIRmat project on developing the research data management tool NOMAD. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our Youtube channel. Slides are available on Zenodo. \nThe PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-nomad/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20240808T103000 DTEND;TZID=Europe/London:20240808T150000 DTSTAMP:20260407T100448 CREATED:20240703T141259Z LAST-MODIFIED:20240715T161725Z UID:35262-1723113000-1723129200@www.psdi.ac.uk SUMMARY:Workshop: PSDI Community Workshop Southampton DESCRIPTION:Growing Data Needs in Research\nData needs in research are growing at previously unimaginable rates\, and the need for collaboration around data has never been clearer. However\, in the Physical Sciences\, many research bodies\, from large facilities to individual laboratories\, have their own data infrastructure with limited ability to share\, integrate\, and reuse data across systems. \nWorkshop Series\nAim\nThe PSDI project is organising a series of workshops over the next couple of months to gather your views on the challenges of managing and sharing research data in the Physical Sciences and how these challenges could be addressed by a new data infrastructure. \nWorkshop Schedule\n\nEdinburgh: 24th July – Register here\nSouthampton: 8th August – Register here\nCambridge: Date TBA\n\nOutline Agenda\n\n10:15: Coffee available\n10:30-11:00: Introduction to PSDI\n11:00-12:30: Activity 1 – Focus Group\n12:30-13:30: Lunch and networking (Light lunch will be provided)\n13:30-14:15: Feedback and group discussion\n14:15-14:40: Wrap-up and next steps\n\nTarget Audience\nAnyone working with research data in the Physical Sciences\, such as data stewards\, researchers\, or research support staff\, is welcome to attend! \nParticipation Details\nThe workshop will include an introduction to the PSDI project and an opportunity to share challenges and inform the development of services that PSDI might offer. This will be structured as a focus group\, followed by a discussion of the points raised by each group. \nA short survey will be sent to participants ahead of the workshop to help us prepare for the event. \nVenue Information\nLocation:Sir James Matthews Building\, University of SouthamptonAbove Bar Street\, Southampton\, SO14 7FQ \nNearest Station:Southampton Central Station (0.4 miles away). It is a 5-minute bus ride or an 11-minute walk. \nAirport:Southampton Airport is 5 miles away. It’s a 25-minute train ride or a 40-minute bus ride. See Unilink for bus routes and times. \nFor any questions\, please contact us at psdi@soton.ac.uk. \nAbout PSDI\nThe Physical Sciences Data Infrastructure (PSDI) aims to provide a data infrastructure that connects existing experimental and computational facilities within the Physical Sciences and beyond. Currently in the development phase\, PSDI is set to begin operating initial services in 2025. In the long term\, PSDI aims to enable: \n\nA platform for data collection\, sharing\, aggregation\, integration\, and curation\nSupport for analysis across experimental\, simulation\, and reference data\nCombining and enhancing existing data infrastructures\nSustaining data resources beyond the lifespan of individual research projects\n\nLearn more about the project \n \n \n \n \n \n \n \n \n \n \n \n \n \nHow to Register\nClick here to register your place \n  \n\nThe PSDI team looks forward to seeing you at the workshop\, if you have any questions please get in touch. URL:https://www.psdi.ac.uk/event/psdi-community-workshop-southampton/ LOCATION:Sir James Matthews Building\, University of Southampton\, Southampton\, SO14 7FQ\, United Kingdom CATEGORIES:Workshop END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20240724T134500 DTEND;TZID=Europe/London:20240724T163500 DTSTAMP:20260407T100448 CREATED:20240703T125231Z LAST-MODIFIED:20240715T161658Z UID:35218-1721828700-1721838900@www.psdi.ac.uk SUMMARY:Workshop: PSDI community workshop - Edinburgh DESCRIPTION:The Physical Sciences Data Infrastructure (PSDI) project is organising a series of workshops to hear your views on challenges to manage and share research data in the Physical Sciences and how those could be addressed by a new data infrastructure for the Physical Sciences. Data needs in research are growing at previously unimaginable rates\, and the need for collaboration around data has never been clearer. However\, in the Physical Sciences\, many research bodies\, from large facility to laboratory\, have their own data infrastructure with limited ability to share\, integrate and reuse data across systems.  \nThis is the first event in the series of workshops. These workshops are aimed at anyone working with research data in the Physical Sciences\, including data stewards\, researchers and research support staff. Further events are scheduled to be held in Southampton and Sheffield. \n\n\n\n\n\n\n\nPlease follow the event link or in the side bar to register for the event \n\n\n \n \n \n \n \n Workshop Agenda and details\nThe workshop will consist of an introduction to the PSDI project\, followed by a focus group session and finishing with a discussion of the points raised by each of the groups. A short survey will be sent to the participants ahead of the workshop to help us prepare the event. \n13.45-14.15: Coffee and networking 14.15-14.45: Introduction 14.45-16.05: Activity 1 – Focus group 16.05-16.35: Activity 2 – Discussion and feedback  \nLocation and getting there\nThe event is being held on the 24th of July in room 5.02 of the Charteris Land Building in Edinburgh. \nThe nearest station is Edinburgh Waverly (a 14 minute walk)\, there are bus stops servicing the 35 on Canongate street with the nearest public parking being NCP Edinburgh Holyrood Rd\, 2 Viewcraig Gardens\, Edinburgh EH8 9UL (a 7 minute walk) \nFor any questions\, you can contact the DCC team at info@dcc.ac.uk  \n \n \n \n \n \n How to Register\nPlease follow the event link here or in the side bar to register for the event \n\n\n\n\n\n\n\nThe PSDI and DCC team looks forward to seeing you at the workshop\, if you have any questions you can always get in contact with us or email DCC at info@dcc.ac.uk URL:https://www.psdi.ac.uk/event/psdi-community-workshop-edinburgh/ LOCATION:Charteris Land Building\, Charteris Land Building\, Room 5.02\, Holyrood Road\, Edinburgh\, EH8 8AQ\, United Kingdom CATEGORIES:Workshop END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20240704T140000 DTEND;TZID=Europe/London:20240704T150000 DTSTAMP:20260407T100448 CREATED:20240624T123955Z LAST-MODIFIED:20250430T093702Z UID:35205-1720101600-1720105200@www.psdi.ac.uk SUMMARY:Webinar: Pathfinder CCP-NC Database DESCRIPTION:This webinar continues our look at our pathfinder activities in the current phase. The subject of this webinar is pathfinder 6 and will discuss the development of a Magres Database for improving FAIR data in the magres community. This webinar will be presented by Sathya Sai Seetharaman from STFC\, Harwell \nThe recording of this webinar is now available on Youtube \n\n\n \n \n \n \n \n Abstract\nThe CCP-NC community consists of academic and industrial research groups from across the United Kingdom\, supported by the Science and Technology Facilities Council. I begin the webinar by talking about the CCP-NC community and their research leading to the need for a Magres Database. \nIn the first half of the talk\, I present the technology stack of the prototype database version 1 and its current state where I’ll talk about my development efforts to improve its FAIR compliance to a reasonable degree and the challenges it presents.The second half of the talk focusses on why CCP-NC want an improved database version 2 and how it will serve the community better than version 1. This section of the talk will cover our vision for the magres database v2 and PSDI’s pathfinder initiative for the CCP-NC Magres database project. I will conclude the talk with the development route we are exploring for version 2 with the multi-faceted technical guidance from PSDI and their partners. \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Sathya is a senior computational scientist of the Theoretical and Computational Physics Group (TCPG)\, working at the Rutherford Appleton Laboratory\, in Harwell campus of the Science and Technology Facilities Council (STFC). He currently leads the pathfinder project for developing the CCP-NC Magres database\, jointly funder by CCP-NC and PSDI. \nHe holds a PhD in Metamaterial Physics from Exeter University. Before joining STFC\, he has worked for 4 years in industry as a research scientist developing wireless power transfer technology and the associated software tools for commercial and industrial applications. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our Youtube channel.  \n\n\n\n\n\n\n\nThe pathfinders aim to focus development in strategic areas with the aim to explore and establish exemplar systems that can be brought under the PSDI umbrella and act as templates for future phases of the project. \nThe PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-ccpnc-database/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar ATTACH;FMTTYPE=image/svg+xml:https://www.psdi.ac.uk/wp-content/uploads/2022/01/PSDI_Logo_CMYK.svg END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20240620T100000 DTEND;TZID=Europe/London:20240620T163000 DTSTAMP:20260407T100448 CREATED:20240530T115847Z LAST-MODIFIED:20250327T200006Z UID:35055-1718877600-1718901000@www.psdi.ac.uk SUMMARY:PSDI Townhall DESCRIPTION:The Physical Sciences Data Infrastructure (PSDI) is running a Townhall event on 20th June and would like to invite representatives from across the Physical Sciences and related domains to attend. At this Townhall event we will be showcasing some of the development activities that are currently going on in PSDI\, gathering feedback from the community and providing information on how to get more involved with PSDI activities. \nBook your place at the Townhall (Tickettailor link) \n \n \n \n \n \n The provisional agenda for the day is the following:10:00 – Start10:00 – 10:25 Registration & Coffee10:25 – 10:30 Housekeeping10:30 – 10:40 Introduction by UKRI / EPSRC (Sophie Janacek & Anthony Chapman)10:40 – 11:15 PSDI Overview (Juan Bicarregui / Simon Coles)11:15 – 11:55 Demonstrators11:55 – 12:15 Invited Talk (Andrew Leach – EBI)12:15 – 12:25 Logistics about Exhibition12:25 – 13:55 Lunch + Exhibition13:55 – 14:35 Contributed Lightning Talks14:35 – 15:30 Interactive Feedback & Discussion session15:30 – 15:45 Closing – next steps15:45 – 16:30 Coffee + informal networking \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Register for the event\nPlease book your in person place by “purchasing” a ticket through ticket tailor. There is no charge\, this enables us to manage our attendee list and cater to any dietary requirements. \n \n Register now\n \n \n \n \n \n This event will be run as an in person event only\, however\, there will be the opportunity to see the event materials and provide feedback alongside the Townhall meeting. If you are unable to attend the meeting but want to hear more about the event please make sure you are signed up to our PSDI mailing list (https://www.jiscmail.ac.uk/cgi-bin/wa-jisc.exe?SUBED1=PSDI&A=1) URL:https://www.psdi.ac.uk/event/psdi-townhall/ LOCATION:IOM3\, Institute of Materials\, Minerals and Mining\, 297 Euston Road\, London\, NW1 3AD CATEGORIES:Large Event ATTACH;FMTTYPE=image/png:https://www.psdi.ac.uk/wp-content/uploads/2024/05/TOWNHALL-EVENT.png END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20240425T140000 DTEND;TZID=Europe/London:20240425T150000 DTSTAMP:20260407T100448 CREATED:20240327T113317Z LAST-MODIFIED:20250430T094030Z UID:34984-1714053600-1714057200@www.psdi.ac.uk SUMMARY:Webinar: Using the Galaxy Platform in Large Scale Experiments DESCRIPTION:This webinar continues our look at our pathfinder activities in the current phase. The subject of this webinar is pathfinder 7 and will discuss how their software helps in workflows containing large data sets generated by simulations and experiments at national facilities. This webinar will be presented by Leandro Liborio from STFC\, Harwell \nThe recording of this webinar is now available on Youtube \n\n\n \n \n \n \n \n Abstract\nThe post-processing of experimental and simulation data\, associated to large scale experiments performed at national facilities\, requires that different software tools from various domains are connected into workflows. These workflows can be quite complex and\, in this webinar\, I will present the web-based\, open-source\, Galaxy platform and show how we use it to manage the software tools and data associated to these workflows. \nGalaxy is a platform for FAIR data analysis that enable users to: run code in interactive environments; share and publish results\, workflows and their associated visualizations; and ensure the reproducibility of their results by capturing and packaging data\, metadata and provenance models required for repeating and understanding their data analyses. \nIn this talk\, I will present examples of applications of the Galaxy platform for managing software tools and data associated to muon science and catalysis experiments. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Biography\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Leandro is a member of the Theoretical and Computational Physics Group (TCPG) working at the Rutherford Appleton Laboratory\, in Harwell\, Oxfordshire\, UK. He is currently working on research projects in collaboration with the muon spectroscopy community\, which utilise a powerful experimental technique that has the ability to probe the atomic local structure and magnetic environment in different materials. \nBefore joining the Rutherford Appleton Laboratory\, he worked as Scientific Advisor at the Blavatnik School of Government at the University of Oxford; as trainee patent attorney and patent assistant for the British firms Marks & Clerk and Boult; as a Research Associate at Imperial College London and as an editor and freelance science writer for Form and Content Media Limited\, a London-based media company. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our Youtube channel. \n\n\n\n\n\n\n\nThe pathfinders aim to focus development in strategic areas with the aim to explore and establish exemplar systems that can be brought under the PSDI umbrella and act as templates for future phases of the project. \nThe PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. URL:https://www.psdi.ac.uk/event/webinar-galaxy-platform/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar ATTACH;FMTTYPE=image/png:https://www.psdi.ac.uk/wp-content/uploads/2023/06/PSDI_Logo_RGB_small.png END:VEVENT END:VCALENDAR