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:20220327T010000 END:DAYLIGHT BEGIN:STANDARD TZOFFSETFROM:+0100 TZOFFSETTO:+0000 TZNAME:GMT DTSTART:20221030T010000 END:STANDARD 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 END:VTIMEZONE BEGIN:VEVENT DTSTART;TZID=Europe/London:20241212T140000 DTEND;TZID=Europe/London:20241212T150000 DTSTAMP:20260404T115856 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:20260404T115856 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:20240704T140000 DTEND;TZID=Europe/London:20240704T150000 DTSTAMP:20260404T115856 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:20240425T140000 DTEND;TZID=Europe/London:20240425T150000 DTSTAMP:20260404T115856 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 BEGIN:VEVENT DTSTART;TZID=Europe/London:20240328T130000 DTEND;TZID=Europe/London:20240328T140000 DTSTAMP:20260404T115856 CREATED:20240311T140905Z LAST-MODIFIED:20250205T114022Z UID:34916-1711630800-1711634400@www.psdi.ac.uk SUMMARY:Webinar: Sample Tracking with Ampletracks DESCRIPTION:This webinar continues the PSDI webinar series\, in this webinar representatives from PSDI Partner the Henry Royce Institute present their Ampletracks sample tracking system. This webinar will be presented by Stavrina Dimosthenous (Henry Royce Institute) and Ben Jefferson. \nThe recording of this webinar is now available on Youtube \n \n \n \n \n \n Abstract  \nAmpletracks is a configurable web-app built\, originally\, for sample tracking in and out of laboratory environments. In this talk\, we will discuss Ampletracks in brief\, and why and how we built Ampletracks. We will demonstrate Ampletracks implemented for a materials science audience. We will demonstrate the ‘User’ workflow\, and Ampletracks features across the multiple ways to register a sample record\, and intrinsic (like record type) and extrinsic (unlike record type) relationships between records. We will then demonstrate how to set different permission profiles for users\, and ‘superuser’ permissions. To finish\, we will briefly discuss other domains to apply Ampletracks\, and how we use Ampletracks to track the development of Ampletracks. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Stavrina Dimosthenous is a Data Curator at the Henry Royce Institute for advanced materials (Royce) in the UK\, based at the Royce Hub Building at The University of Manchester. She holds a PhD in Materials Science\, and has conducted research in materials science and computational materials science across the UK and Europe. She leads the Royce Data Curation activity\, where the team is promoting data management and open research practices and tools across Royce Partners. Stavrina’s interests include data science\, machine learning\, and accessibility in academia. \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n Ben is an information security and Internet technology expert with experience ranging from hands-on technical skills through to policy process and strategy development. Experienced in leading multi-million pound projects through all stages of project life cycle. Specialist in design and build of high capacity\, high availability open source web applications. Previous projects include:– BAFTA: Online Entry and voting systems– Travelodge UK: Hotel booking site– Trinity College London: Exams Student and Examination management system \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. For those that wish to get some more information about the pathfinders before the webinar please go to: https://www.psdi.ac.uk/current-work/wp4-pathfinders/ \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-ampletracks/ 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 BEGIN:VEVENT DTSTART;TZID=Europe/London:20231214T140000 DTEND;TZID=Europe/London:20231214T150000 DTSTAMP:20260404T115856 CREATED:20231114T105945Z LAST-MODIFIED:20250117T134050Z UID:34729-1702562400-1702566000@www.psdi.ac.uk SUMMARY:Webinar: Pathfinder - Data to Knowledge DESCRIPTION:This webinar continues our look at our pathfinder activities in the current phase. The subject of this webinar is pathfinder 5 which focuses on transforming data to knowledge through the construction of workflows. In particular this looks machine learning for interatomic potentials (MLIP). \nThe recording of this webinar is now available on Youtube \n \n \n \n \n \n This webinar will be presented by Alin Elena and Federica Zanca from Science and Technology Facilities Council Daresbury Laboratory. \nAbstract  \nAI is ubiquitous in all walks of life and research. In the last 5 years active research in the field of understanding how atoms and molecules interact using AI has revolutionised the field. The outcome of these efforts\, machine learning interatomic potentials\, MLIP\, has produced the breakthrough that recommends them as the next paradigm change in atomistic molecular simulations\, with applications ranging from battery design to catalytic chemical reaction modelling for hydrogen storage or CO2 capture. All these advances need expensive calculations to be produced and used for training machine learning models. In addition\, the models resulting from these models are non-trivial in terms of storage and distribution compared with previous generation interatomic potentials which tended to be analytical. Current models use millions of structures for training\, and this raises new challenges around reproducibility and exploitation of these models. Physical Sciences Data Infrastructure\, PSDI\, aims to enable researchers in the field to deal with the challenges coming from generating\, using and enhancing this data. The first part of the talk will concentrate on recent advances in the field and PSDI contribution\, second part more technical will concentrate on presenting databases and workflows challenges for having reproducible and reusable data. We will present opensearch\, abcd database and aiida workflows.  \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. For those that wish to get some more information about the pathfinders before the webinar please go to: https://www.psdi.ac.uk/current-work/wp4-pathfinders/ \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-psdi-pf5/ 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 BEGIN:VEVENT DTSTART;TZID=Europe/London:20231116T140000 DTEND;TZID=Europe/London:20231116T150000 DTSTAMP:20260404T115856 CREATED:20231101T140705Z LAST-MODIFIED:20240312T111508Z UID:34711-1700143200-1700146800@www.psdi.ac.uk SUMMARY:Webinar: Data Revival DESCRIPTION:This webinar continues our look at our pathfinder activities in the current phase. The subject of this webinar is extraction of knowledge from lab books\, which is being undertaken as part of our Pathfinder 2 & 3 activities in conjunction with spin out company Data Revival. This webinar will be presented by Samuel Munday from Data Revival. \nThe recording of this webinar is now available on Youtube \n \n \n \n \n \n Making the intangible tangible: The journey from lab notebook to digital insight\nThe University of Southampton’s chemistry department has accumulated a wealth of chemical knowledge over the years\, some of which has been captured in over 2000 lab books. The vast majority of these have been sat gathering dust in a cupboard for a long time\, unable to be destroyed due to both the value of knowledge they hold and their importance for Health and Safety reporting. However\, this knowledge is intangible and difficult to access\, offering no value to the department whilst taking up space and presenting a fire risk. We present our work on turning this unstructured resource into a structured accessible database that holds FAIR data open to analytics and intelligent search. Our system utilises AI-driven natural language processing techniques\, as well as chemical structure recognition\, to extract all the types of chemical information required to create a useful\, searchable database. This database unlocks 3000 chemist years of knowledge and enables more efficient and accurate future research. In this webinar we discuss the process of digitising such an archive effectively\, the AI tools we have created to work with such unstructured knowledge at scale\, the utility of the digital database created for the chemistry department\, and the feedback received from the department on the system’s potential for further development. \nBiography\nSamuel Munday is a senior research assistant at the University of Southampton as well as being the co-director of the fledgling 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 into structured searchable databases at scale. He is currently leading the development of this platform which is beginning to show signs of success with both academic researchers and commercial partners. \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 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. For those that wish to get some more information about the pathfinders before the webinar please go to: https://www.psdi.ac.uk/current-work/wp4-pathfinders/ \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-data-revival/ 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 BEGIN:VEVENT DTSTART;TZID=Europe/London:20231018T140000 DTEND;TZID=Europe/London:20231018T150000 DTSTAMP:20260404T115857 CREATED:20230824T170822Z LAST-MODIFIED:20240108T142255Z UID:34686-1697637600-1697641200@www.psdi.ac.uk SUMMARY:Webinar: Pathfinders - Biomolecular Simulation DESCRIPTION:This webinar continues our look at our pathfinder activities in the current phase. The subject of this webinar is pathfinder 4 which focuses on process orchestration in Biomolecular Simulation. This webinar will be presented by James Gebbie and Jas Kalayan. \nThe recording of this webinar is now available on Youtube. \nFAIR Data for the Biomolecular Simulation Community\nAbstract: \nThe biomolecular simulation community produces vast amounts of data to study complex biological systems at atomic scales. Yet\, how we store\, share\, and reuse our data is not well defined. One problem is that our simulation pipelines are difficult to replicate without detailed descriptions of each step. Another problem is the data files we produce can often be too large to store on the national compute facilities\, which most of this data is produced on. In this webinar we present possible solutions to address these two problems; firstly\, a software tool to record data provenance towards FAIR [1] compliant formats\, and the other an online data repository to store and share this data. \nFor reproducible data\, we utilise the powerful AiiDA Python infrastructure [2\,3] to develop our aiida-gromacs plugin [4]\, for tracking all inputs and outputs from simulation protocols performed with the GROMACS MD engine [5]. We show how aiida-gromacs can be used with minimal changes to how researchers already work\, to allow for easy adoption of provenance tools within our community. \nTo address the findable and accessible components of FAIR compliancy\, we also briefly present our prototype data infrastructure. Our aim is to allow researchers to directly upload data produced via aiida-gromacs onto our database for easy access\, querying and visualisation of simulation data/metadata online. \nWe encourage the biomolecular simulation community to try aiida-gromacs\, we have installation guides and tutorials available online. Please have a go\, contribute\, and provide us with feedback for improving aiida-gromacs! \n[1] Wilkinson\, Mark D. et al. (2016). Scientific Data\, 3(1)\, 160018. \n[2] https://www.aiida.net/sections/about.html \n[3] Huber\, Sebastiaan P. et al. (2020). Scientific Data\, 7(1)\, 300. \n[4] https://aiida-gromacs.readthedocs.io/en/latest/index.html \n[5] https://www.gromacs.org/ \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 The 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. For those that wish to get some more information about the pathfinders before the webinar please go to: https://www.psdi.ac.uk/current-work/wp4-pathfinders/ \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-psdi-pf4/ LOCATION:Online\, Virtual Event\, Online CATEGORIES:Webinar END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20231003T140000 DTEND;TZID=Europe/London:20231003T150000 DTSTAMP:20260404T115857 CREATED:20230824T171050Z LAST-MODIFIED:20231212T102430Z UID:34679-1696341600-1696345200@www.psdi.ac.uk SUMMARY:Webinar: Pathfinders - Catalysis DESCRIPTION:This webinar continues our look at our pathfinder activities in the current phase. The subject of this webinar is experimental data capture in catalysis research. This is the focus of Pathfinder 1 which is led by Abraham Nieva de la Hidalga. \nThe recording of this webinar is now available on Youtube. \nExperimental Data Capture: producing publish ready data from processing and analysis processes\, example with XAS data processing.\nAbstract: In this seminar we will demonstrate two techniques for processing and analysing data that generate the required metadata to create FAIR digital objects. These objects can then be published as supporting information for the results obtained. This approach requires minimum intervention from the researcher performing the processing and analysis tasks. Consequently\, these methods are ideal for improving the practices of publishing data\, facilitate reproducibility of results\, and support greater reuse of published data. \nThe two proposed techniques are based on the use of the X-Ray Larch Python Library. The first technique uses Jupyter notebooks and MLProvLab. This approach is suitable for small scale spectra analysis\, this is processing and analysis of a small number of XAS readings being studied. The second technique leverages Galaxy tools and workflows. This approach is suitable for large scale spectra analysis\, which encompasses processing and analysis of large numbers of XAS readings\, such as those resulting from in situ and operando experiments. \nBoth techniques produce the metadata required for reproducing the results\, including data used\, parameters set at each stage\, sequence of operations and mapping between inputs and outputs. We will discuss the benefits of these type of tools such as\, less work in documenting supporting data by producing publishing ready data objects\, comparison of results when varying parameters and exploratory testing of different parameter combinations. \nAt the end of this seminar\, you will be able to practice with your actual data using the resources presented (Jupyter notebooks). Additionally\, we invite the community to provide ideas for improvements of the tools and for supplying ideas for further development. \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 The 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. For those that wish to get some more information about the pathfinders before the webinar please go to: https://www.psdi.ac.uk/current-work/wp4-pathfinders/ \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-psdi-pf1/ 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-01.svg END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20230727T140000 DTEND;TZID=Europe/London:20230727T150000 DTSTAMP:20260404T115857 CREATED:20230531T223631Z LAST-MODIFIED:20230731T153839Z UID:34495-1690466400-1690470000@www.psdi.ac.uk SUMMARY:Webinar: Pathfinders - Process Recording DESCRIPTION:In the first webinar of the series (a recording of this now available on the PSDI YouTube page) we took a look at PSDI as a whole. In this second webinar we focus down into work package 4 of the current phase\, which contains our 5 pathfinders\, in this webinar we looked at the work in Pathfinder 2: Process Recording\, which is led by Dr Samantha Kanza. \nThe recording of this webinar is now available on Youtube. \nAbstract: Process recording is fundamental to ensuring the preservation of the scientific record and enabling reproducibility. The Electronic Lab Notebook (ELN) was originally created to serve as a direct replacement for the paper lab notebook\, to ensure the digital capture and retention of the scientific record. What seemed like an obvious simple software-based solution has been anything but\, and there are now over 80 active ELNs on the market and a wide range of different approaches have been taken to digitizing scientific research across academia and industry. \nThis talk will discuss the shift in software offerings and attitudes to process recording software and report on the results of a recent survey on ELN and Notebook Usage in our physical sciences community. We will also discuss the current work that is being undertaken in this pathfinder to produce a comprehensive resource on process recording tools to aid researchers in identifying the best solution(s) for them. It will also cover research being undertaken around the different aspects of process recording\, and community recommendations for making improvements in these areas\, such as metadata\, semantics\, data standards and the use of hybrid/voice 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 Bio: Dr Samantha Kanza is a Senior Enterprise Fellow at the University of Southampton. She is a Pathfinder Lead and researcher in the Physical Sciences Data Infrastructure initiative. She also coordinates the Future Blood Testing Network (www.futurebloodtesting.org) run out of Reading as well as previously co-ordinating the AI 4 Scientific Discovery Network (AI4SD – www.ai4science.network). 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. She has also worked on a number of interdisciplinary Semantic Web projects in different domains\, including agriculture\, chemistry and the social sciences. \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 The 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. An overview of the pathfinder will be presented as well as their goals over the course of the project. For those that wish to get some more information about the pathfinders before the webinar please go to: https://www.psdi.ac.uk/current-work/wp4-pathfinders/ \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-psdi-pf2/ 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-01.svg END:VEVENT BEGIN:VEVENT DTSTART;TZID=Europe/London:20230629T140000 DTEND;TZID=Europe/London:20230629T150000 DTSTAMP:20260404T115857 CREATED:20230529T155505Z LAST-MODIFIED:20230714T152132Z UID:34494-1688047200-1688050800@www.psdi.ac.uk SUMMARY:Webinar: Introduction to PSDI DESCRIPTION:Welcome to the Physical Sciences Data Infrastructure (PSDI) webinar series. This webinar series is designed to communicate the PSDI work to a wider audience! \nIn the first webinar of the series we will be presenting a broad introduction to PSDI. If you are wondering what PSDI is working on\, then this webinar will be an excellent introduction for you. In this webinar we will cover the vision of the project\, an overview of the work we have undertaken in the PSDI pilot\, the work we are currently undertaking and where we are focusing in the shorter term. Future webinars will focus in more depth on specific elements of the project. Our second webinar running in July will focus more on work undertaken in work package 4 through our pathfinders. \nThis webinar will be a presentation from the PSDI team with a chance for those attending to ask questions at the end\, the webinar will be recorded and a copy of the recording is now available on the PSDI Youtube Channel – you can subscribe to the channel to find out when future videos go live. \nThe PSDI team looks forward to seeing you at the webinar\, if you have any questions you can always get in contact with us. \n \n \n \n \n \n Watch the recording\nYou can watch the recording of this webinar via our Youtube Channel. URL:https://www.psdi.ac.uk/event/webinar-introduction-to-psdi/ 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-01.svg END:VEVENT END:VCALENDAR