BEGIN:VCALENDAR VERSION:2.0 PRODID:-//Physical Sciences Data Infrastructure - ECPv6.16.2//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:Atlantic/Azores BEGIN:DAYLIGHT TZOFFSETFROM:-0100 TZOFFSETTO:+0000 TZNAME:+00 DTSTART:20250330T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0000 TZOFFSETTO:-0100 TZNAME:-01 DTSTART:20251026T010000 END:STANDARD BEGIN:DAYLIGHT TZOFFSETFROM:-0100 TZOFFSETTO:+0000 TZNAME:+00 DTSTART:20260329T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0000 TZOFFSETTO:-0100 TZNAME:-01 DTSTART:20261025T010000 END:STANDARD BEGIN:DAYLIGHT TZOFFSETFROM:-0100 TZOFFSETTO:+0000 TZNAME:+00 DTSTART:20270328T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0000 TZOFFSETTO:-0100 TZNAME:-01 DTSTART:20271031T010000 END:STANDARD END:VTIMEZONE BEGIN:VTIMEZONE TZID:Europe/London 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:VEVENT DTSTART;TZID=Atlantic/Azores:20260618T140000 DTEND;TZID=Atlantic/Azores:20260618T150000 DTSTAMP:20260530T164038 CREATED:20260416T102949Z LAST-MODIFIED:20260522T085538Z UID:37017-1781791200-1781794800@www.psdi.ac.uk SUMMARY:Webinar: From Project to Platform: New Resources on PSDI - Session 3 DESCRIPTION:Registration link: https://us06web.zoom.us/webinar/register/WN_uCSiENnvQpCUjLNERzvDFg \nPSDI is pleased to launch a new webinar series entitled “From Project to Platform: New Resources on PSDI”. This series aims to showcase the high-quality tools and resources developed through the funding call 2025\, introduce them to a broader community\, and foster engagement with relevant user groups.   \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 Abstract\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Challenge\n \n \n \n \n \n \n\n\nGrowing concerns of a reproducibility crisis in electrochemical devices\, particularly within the flow battery research community\nA lack of standardised experimental practices and few consistent reporting frameworks\nLimited reliability and comparability of reported results across laboratories\nInter‑lab differences are difficult to interpret\, slowing collective progress and best‑practice development\n\n\n\n \n \n \n \n \n Approach\n \n \n \n \n \n \n\n\nSince 2023\, multi‑institutional round‑robin studies co‑led by QUB and MIT\nSystematic investigation of repeatability\, replicability\, reproducibility in flow battery cell testing\nPhase 1 (complete)\n\nIdentical flow battery test cell kits distributed to 11 researchers from 7 institutions\nNominally identical electrochemical measurements performed\n\n\nPhase 2 (on-going)\n\nCommunity‑scale expansion to over 40 researchers from 35 institutions\nPhase 2a: reproducibility using participants’ own cells\nPhase 2b: large‑scale replicability study using updated standardised kits\n\n\n\n\n\n \n \n \n \n \n Innovation\n \n \n \n \n \n \n\n\nCombination of community‑scale participation\, shared nomenclature\, and affordable 3D-printed cells\nDevelopment of a PSDI‑supported data infrastructure for:\n\ncross‑institutional data collection\ninteractive visualisation\ncomparative analysis at scale\n\n\nEnables identification of systematic trends across laboratories\nEstablishes a pathway toward transparent\, comparable\, and reproducible testing standards for single‑cell flow batteries\n\n\n\n \n \n \n \n \n Phase 1: Replicability Study Timeline\n \n \n \n \n \n \n \n \n \n \n \n Phase 2: Community‑Scale Participation\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Bio\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 Josh J. Bailey is an Illuminate Fellow at Queen’s University Belfast\, working at the interface of physical experimentation and computational modelling to improve performance\, durability\, and sustainability of electrochemical devices. He co-leads international activities aiming to measure and improve reproducibility in flow battery testing\, whilst designing new materials and protocols. \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 Register for this webinar\nRegister for this webinar directly through zoom:https://us06web.zoom.us/webinar/register/WN_uCSiENnvQpCUjLNERzvDFg \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/new-resources-webinar-2/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Atlantic/Azores:20260709T140000 DTEND;TZID=Atlantic/Azores:20260709T150000 DTSTAMP:20260530T164038 CREATED:20260519T143425Z LAST-MODIFIED:20260521T103334Z UID:37435-1783605600-1783609200@www.psdi.ac.uk SUMMARY:Webinar: From Project to Platform: New Resources on PSDI – Session 4 DESCRIPTION:Registration link: https://us06web.zoom.us/webinar/register/WN_ws-354zrRTGV6faNNmEUxg \nPSDI is pleased to launch a new webinar series entitled “From Project to Platform: New Resources on PSDI”. This series aims to showcase the high-quality tools and resources developed through the funding call 2025\, introduce them to a broader community\, and foster engagement with relevant user groups.   \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 Abstract\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n SimpNMR – a Tool for Ab initio-assisted analysis of NMR data of paramagnetic metal complexes in solution\n \n \n \n \n \n Challenge\n \n \n \n \n \n \n\n\nNMR spectra of paramagnetic metal complexes in solution are notoriously difficult to interpret\, as unpaired electrons produce large chemical shifts\, broadened lineshapes\, and temperature-dependent behaviour that standard diamagnetic analysis tools cannot handle.\nExtracting meaningful electronic structure information (magnetic susceptibility tensors\, correlation times\, spin-Hamiltonian parameters) from pNMR data requires combining experimental spectra with ab initio calculations\, a workflow that today remains fragmented\, manual\, and inaccessible to many researchers.\n\n\n\n \n \n \n \n \n Approach\n \n \n \n \n \n \n\n\nSimpNMR is a Python package that streamlines pNMR analysis by directly incorporating outputs of ab initio calculations.\nIt provides an end-to-end workflow for paramagnetic complexes in solution\, including:\n\nprediction of 1D NMR spectra (e.g. 1H\, 13C)\nassignment of experimental peaks to molecular sites\nfitting of the magnetic susceptibility tensor and correlation times to experimental pNMR data\n\n\nWith variable-temperature experiments\, SimpNMR extracts spin-Hamiltonian parameters such as the g-tensor\, and in certain cases the D-tensor\, directly from solution pNMR data\, information typically accessible only from EPR or SQUID magnetometry.\n\n\n\n \n \n \n \n \n Innovation\n \n \n \n \n \n \n\n\nSimpNMR transforms pNMR analysis from a bespoke\, expert-only procedure into a reproducible\, scriptable Python workflow that bridges computational and experimental chemistry.\nSimpNMR_DB\, a curated companion database\, stores the input data required for SimpNMR analysis\, enabling:\n\nreuse and benchmarking of ab initio inputs across complexes\nreproducible\, shareable analysis pipelines\naccelerated discovery by lowering the barrier to quantitative pNMR interpretation\n\n\nTogether\, SimpNMR and SimpNMR_DB open up solution pNMR as a practical route to electronic-structure parameters of paramagnetic metal complexes.\n\n\n\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Bio\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 Elizaveta A. Suturina (University of Bath) is a senior lecturer in Computational Chemistry at the University of Bath. Her research combines computational and experimental approaches to reveal key structural modifications that enhance magnetic properties in cobalt(II) complexes.She currently leads a project developing a Python toolkit for ab initio-assisted analysis of paramagnetic NMR of metal complexes\, which has inspired further research extending these approaches across different chemical systems. \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 Register for this webinar\nRegister for this webinar directly through zoom:https://us06web.zoom.us/webinar/register/WN_ws-354zrRTGV6faNNmEUxg \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/new-resources-4/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20260716T100000 DTEND;TZID=Europe/London:20260716T160000 DTSTAMP:20260530T164038 CREATED:20260430T113441Z LAST-MODIFIED:20260513T095447Z UID:37165-1784196000-1784217600@www.psdi.ac.uk SUMMARY:Transitioning from FAIR to AI Ready Data in the Physical Sciences: A PSDI & AIchemy Workshop DESCRIPTION:Event Details\n📅Date: Thursday\, 16 July\n🕘Time: 10:00 am – 4:00 pm\n📍Location: University of Southampton\, B100 Room 6009\, Highfield Campus\, Southampton\, SO17 1BJ\n \n \n \n \n \n About the Workshop\nIn recent years\, the physical sciences community has been generating increasingly large and complex datasets\, at a scale that is now beyond what can be fully explored or analysed by humans alone. As a result\, researchers are turning to AI and machine‑learning techniques\, which have matured significantly and offer powerful new ways to extract insight from data. However\, while the adoption of FAIR data principles has improved data sharing and reuse\, experience is showing that FAIR does not necessarily mean AI‑ready. Many datasets remain difficult to use effectively in AI and Machine Learning models.   \nThis interactive workshop has been co-created by the Physical Sciences Data Infrastructure (PSDI) and the AI in Chemistry Hub (AIchemy). It aims to bring together researchers\, data professional and infrastructure developers to facilitate knowledge exchange and explore what it truly means to be “AI Ready”. The workshop is comprised of invited presentations\, lightning talks from participants and interactive discussion sessions. The talks will share current practices\, highlighting successes and challenges\, and the discussion sessions will explore the practical approaches and tools for evaluating and improving AI readiness.   \nAudience\nThis in-person event is aimed at anyone interested in dataset standards\, curation\, and developing robust methods to assess the applicability and reliability of data for reuse. It will be particularly relevant for researchers and research software engineers working with data and AI/ML\, data stewards and research data managers\, infrastructure and platform developers\, and scientists interested in enabling future reuse of their datasets.  \nCall for Lightning Talks\nWe invite submissions for short lightning talks exploring the challenges\, opportunities\, and practical experiences involved in creating AI-ready datasets within the physical sciences. \nThis is an opportunity to share emerging ideas\, real-world case studies\, and lessons learned from working with data intended for AI and machine-learning applications. \nTopics may include\, but are not limited to: \n\nExperiences in developing or curating AI-ready datasets\nChallenges in preparing FAIR data for AI and machine learning use\nData quality\, metadata\, interoperability\, and standardisation\nBenchmarking\, validation\, and reproducibility\nInfrastructure\, tooling\, and workflow development\nCommunity needs\, open challenges\, and proposed solutions\n\nDuring registration\, participants will be able to indicate their interest in presenting a lightning talk. The organising team will review submissions and notify successful applicants by 26 June 2026.  \nDraft Agenda  \n\n10:00-10:30: Coffee & Registration  \n\n\n10:30-10:35: Housekeeping & Welcome \n\n\n10:35-10:45: Introduction to PSDI \n\n\n10:45-10:55: Introduction to AIchemy \n\n\n10:55-11:10: Setting the Scene: From FAIR to AI-Ready \n\n\n11:10-11:25: Coffee Break & Networking  \n\n\n11:25-12:45: Invited Speakers (Matthew Partridge\, Aileen Day\, Nessa Carson) \n\n\n12:45-13:30: Networking Lunch \n\n\n13:30-14:00: Participant Lightning Talks \n\n\n14:00-14:15: Introduction to Discussion Sessions  \n\n\n14:15-14:45: Discussion Sessions Part 1 \n\n\n14:45-15:00: Coffee Break & Networking  \n\n\n15:00-15:30: Discussion Sessions Part 2 \n\n\n15:30-16:00: Feedback & Wrap Up  \n\nEvent Travel \nThe University of Southampton is accessible via various different transport links \n\nTravelling by Train: Southampton Airport Parkway is the closest station\, but Highfield Campus is also close to St Denys and Southampton Central Station\n\n\nTravelling by Bus: Highfield Campus is on the bus route for all Unilink Busses\n\n\nTravelling by Car: Highfield Campus has very limited parking\, if you require on-site parking for accessibility reasons then please note that in your registration\, or email psdi@soton.ac.uk at least one week in advance\, and we will try and accommodate this if possible (NB: we cannot guarantee this in the week leading up to the event). There is also a 100-space short stay carpark (with charges)\, but this is likely to be very busy.\n\n \n \n \n \n \n Registration Details\nPlease register for this event here\, please note spaces are limited. \n  \n \n \n \n \n \n PSDI Project Shows How Physical Sciences Data Can Be Made Ready for AI\nPlease check out this recent article by Dr Matthew Partridge and Dr Aileen Day  \nPSDI Project Shows How Physical Sciences Data Can Be Made Ready for AI \n  URL:https://www.psdi.ac.uk/event/ai-ready-data/ LOCATION:University of Southampton\, Highfield Campus\, Southampton\, Hampshire\, SO17 1BJ\, United Kingdom CATEGORIES:Workshop ATTACH;FMTTYPE=image/png:https://www.psdi.ac.uk/wp-content/uploads/2026/04/Transitioning-from-FAIR-to-AI-Ready-data-in-the-Physical-Sciences-A-PSDI-AIchemy-Workshop-1.png END:VEVENT BEGIN:VEVENT DTSTART;VALUE=DATE:20260729 DTEND;VALUE=DATE:20260801 DTSTAMP:20260530T164038 CREATED:20260518T131804Z LAST-MODIFIED:20260528T164006Z UID:37432-1785283200-1785542399@www.psdi.ac.uk SUMMARY:PSDI & Royce Materials Data Summit DESCRIPTION:📅 Dates: 29th -31st July 2026📍 Location: Nancy Rothwell Building\, University of Manchester\, Manchester\, M13 9PL🤝 Organised by: The Henry Royce Institute & the Physical Sciences Data Infrastructure \n \n \n \n \n \n Overview\nThe Henry Royce Institute and the Physical Sciences Data Infrastructure (PSDI) are pleased to announce the PSDI & Royce Materials Data Summit\, which will be held from 29th to 31st July 2026 at the University of Manchester. \nThis event aims to bring together professionals working on digitalisation in materials science\, giving them the opportunity to share their work\, learn about recent developments\, and build collaborations. \nTopics in scope for the event include\, but are not limited to\, the following (in the context of materials): \n\n\n\nData standards\, metadata quality\, ontologies\, and semantic interoperability\nDigital research tools\, including workflow automation frameworks and electronic laboratory notebooks\nCommunity databases and curated data collections\nData-driven applications of AI\nAutonomous laboratories and digital twins\n\n\n\nWe welcome participants from a wide range of backgrounds\, e.g. experimentalists\, computational scientists\, industry\, software engineers\, data engineers\, data stewards. \nFormat\nThe event will be split into two parts: \n\n\n\nThe 29th July will be dedicated to hands‑on training sessions where participants will be given the chance to try bleeding-edge digital tools. This training day will run from 1100-1845.\nThe 30th and 31st July will have the format of a traditional conference\, featuring invited talks from leaders in the field and a poster exhibition. Participants attending this part of the event will be invited to submit abstracts for the poster exhibition. The conference will run from 0900-1800 on 30th July\, and 0900-1730 on 31st July. Moreover\, we hope to provide a optional conference dinner on the evening of the 30th July\, and tours of the host institution’s laboratories during the conference days.\n\n\n\nParticipants can register for one or both parts of the event (see below for link). At registration participants can specify their interest in\, e.g. the conference dinner and lab tour. Note that there will be a charge to attend the training day. (This charge does not apply to those involved in running a training session). The cost is yet to be finalised\, but will be approximately £50-65. On the other hand the conference will be free to attend. The exception is the optional conference dinner\,  which will have a cost to be determined. \nNote that this event is in-person only for participants. \nA detailed timetable for the event (both parts) will be published at PSDI & Royce Materials Data Summit (29th-31st July 2026): Timetable · STFC Indico. \n\nParticipate\n\n\n\n\n\nThe link to register to attend (one or both of the training day and conference) is PSDI & Royce Materials Data Summit (29th-31st July 2026): Registration · STFC Indico. At registration participants can express interest in the conference dinner and laboratory tours for the conference.\nTo submit poster abstracts the link is PSDI & Royce Materials Data Summit (29th-31st July 2026): Call for Abstracts · STFC Indico.\n\n\n\n\nMotivation\n\nThis event builds on the success of the 2025 PSDI Materials Community Workshop\, hosted at the Royce Institute\, which attracted strong interest from researchers across the UK and Europe. That workshop became a catalyst for ongoing cross‑community dialogue on digital approaches in materials research. \n\n\nWhile numerous specialised meetings exist – for example\, on computational simulation\, data curation\, AI\, semantic interoperability\, or experimental data analysis – these events typically focus on their own technical domain rather than on materials as a unifying theme. As a result\, communication across the materials community remains fragmented\, slowing the development of coherent\, multi‑aspect digitalisation strategies. \n\n\nConversely\, broad materials‑research conferences (such as the UK’s Materials Research Exchange) include digitalisation as one topic among many\, but their generalist audiences limit the depth and continuity of discussions around digital technologies. \n\n\n‘PSDI & Royce Materials Data Summit’ aims to close this gap by offering a dedicated and inclusive forum for a holistic\, multi‑faceted conversation about materials digitalisation. \nFurther information\n\n\nFor specific enquiries please contact: \n\n\n\n\n\nStavrina Dimosthenous (stavrina.dimosthenous@manchester.ac.uk)\nTom Underwood (tom.underwood@stfc.ac.uk).\n\n\n\n\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n The call for abstracts is open\n \n \n \n \n \n You can submit an abstract for reviewing. \n \n \n \n \n \n \n \n Submit new abstract\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Registration\n \n \n \n \n \n Registration for this event is currently open. \n \n \n \n \n \n \n \n Register now \n \n \n \n \n \n 29th-31st July 2026 URL:https://www.psdi.ac.uk/event/psdi_royce_materials_data_summit/ LOCATION:University of Manchester CATEGORIES:Large Event ATTACH;FMTTYPE=image/jpeg:https://www.psdi.ac.uk/wp-content/uploads/2026/05/PSDIROYCEheader5-2048x1171-1.jpg END:VEVENT END:VCALENDAR