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DTSTART;TZID=Europe/Stockholm:20260303T120000
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SUMMARY:Learning electronic structure from X-ray spectroscopy: Multiplet theory\, data\, and high-performance computing
DESCRIPTION:Register here\n\n\n\n\n\n\nAbout the webinar\n\n\n\nUnderstanding how electrons behave in complex materials is key to technologies ranging from lithium-ion batteries to magnetic and spin-based materials. X-ray spectroscopies offer a powerful way to probe these electronic and magnetic properties\, but interpreting the spectra and resultiing data often requires theoretical models and large-scale computations that can seem intimidating to newcomers. \n\n\n\nIn this webinar\, we explore how X-ray spectroscopy combined with modern electronic-structure theory\, data analysis\, and high-performance computing (HPC) can be used to understand redox chemistry and magnetism in transition-metal oxides. Using examples from battery cathode materials and magnetic oxides\, this webinar introduces how experimental techniques such as XPS and XMCD can be interpreted with the help of multiplet ligand-field theory and advanced electronic-structure calculations carried out on HPC platforms. \n\n\n\nThe focus is on physical intuition and conceptual understanding\, offering a gentle introduction to how spectroscopy\, data\, and large-scale computation work together in materials research. \n\n\n\nWho is the webinar for\n\n\n\nThis webinar is intended for: \n\n\n\n\nResearchers in academia\, industry\, or related fields seeking an accessible overview of spectroscopy-based materials analysis and data interpretation\n\n\n\nExperimentalists interested in how theoretical models and high-performance computing (HPC) support the analysis of complex spectroscopic data\n\n\n\nGraduate students and advanced undergraduates in physics\, chemistry\, or materials science\n\n\n\n\nNo prior experience with multiplet theory\, density functional theory (DFT)\, or many-body methods is required. Familiarity with basic concepts from solid-state or atomic physics is sufficient; the role of data and HPC in modern electronic-structure studies will be introduced at a conceptual level. \n\n\n\nKey takeaways\n\n\n\nBy the end of this webinar\, participants will: \n\n\n\n\nUnderstand why interpreting X-ray spectroscopic data often requires theoretical modeling\, and the role multiplet ligand-field theory plays in connecting models to measured spectra.\n\n\n\nGain physical intuition for how electronic correlations and charge transfer shape spectral features in transition-metal oxides\, as revealed through data-driven analysis and large-scale calculations enabled by high-performance computing (HPC)\n\n\n\nDevelop a clearer conceptual framework for reading and interpreting complex X-ray spectra beyond simple peak assignments\, including how experimental data and computational results are compared and validated\n\n\n\n\nSpeaker and moderator\n\n\n\n\nRuiwen Xie\n\n\n\nYonglei Wang/Wei Li\n\n\n\n\nFor any questions contact us at training@enccs.se \n\n\n\n\n\n\n\nMore events & contact\n\n\n\nCheck out more upcoming events from ENCCS and our European network at https://enccs.se/events\, as well as our lessons\, suitable also for self-learning. \n\n\n\nFor questions regarding this workshop or general questions about ENNCS training events\, please contact training@enccs.se \n\n\n\nSchedules can change!\n\n\n\nTo ensure that everyone has the opportunity to participate\, we kindly request that you let us know as soon as possible if you are unable to attend an event after registering. \n\n\n\nPlease send us an email at training@enccs.se to cancel your attendance. \n\n\n\nWe understand things can change\, but repeated cancellations without notice may unfortunately result in your name being removed from future event registration lists. \n\n\n\n\n\n\n\nRegulations\n\n\n\nDue to EuroCC2 regulations\, we CAN NOT ACCEPT generic or private email addresses. Please use your official university or company email address for registration. \n\n\n\nThis training is for users who live and work in the European Union or a country associated with Horizon 2020. You can read more about the countries associated with Horizon2020 HERE.
URL:https://enccs.se/events/learning-electronic-structure-from-x-ray-spectroscopy/
CATEGORIES:ENCCS Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2026/02/Webinar.jpg
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DTSTART;TZID=Europe/Stockholm:20260317T100000
DTEND;TZID=Europe/Stockholm:20260326T150000
DTSTAMP:20260418T145817
CREATED:20260220T103559Z
LAST-MODIFIED:20260223T095932Z
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SUMMARY:CodeRefinery Workshop on Coding Tools and Techniques for Reproducible Research [In-person & online]
DESCRIPTION:Register here\n\n\n\n\n\n\nAbout the course\n\n\n\nAre you writing code for your research? Do you want to make your research results more reproducible? Do you struggle to reproduce results of your own or others computations? Join the CodeRefinery workshop on coding tools and techniques. \n\n\n\n🗓️ The workshop runs on March 17–19 and March 24–26\, offering three consecutive days each week to maximize learning and networking opportunities. \n\n\n\nThe intended audience for this workshop are researchers of all domains\, levels and preferred programming languages who write code in their research\, and the aim is to improve the reproducibility of our research by deepening the knowledge of the tools that enable better code development and sharing. \n\n\n\nThe workshop is held online (streamed on Twitch) with hands-on sessions. \n\n\n\nThe event is free of charge. More info and registration on the CodeRefinery Workshop site. \n\n\n\nIn-person hybrid event\n\n\n\nIn addition to the option to participate online\, this edition of the workshop also offers limited seats to a local exercise group at KTH library for participants in Sweden.  \n\n\n\nSecure your spots here: \n\n\n\n\nRegistration for week 1\n\n\n\nRegistration for week 2\n\n\n\n\nDuring the CodeRefinery workshop on coding tools and techniques you will get the opportunity to interact with trainers from ENCCS\, KTH and other partner organizations. \n\n\n\nLocation: Hjärne and Lallerstedt\, KTH Library and online \n\n\n\n\n\n\n\nMore events & contact\n\n\n\nCheck out more upcoming events from ENCCS and our European network at https://enccs.se/events\, as well as our lessons\, suitable also for self-learning. \n\n\n\nFor questions regarding this workshop or general questions about ENNCS training events\, please contact training@enccs.se \n\n\n\nSchedules can change!\n\n\n\nTo ensure that everyone has the opportunity to participate\, we kindly request that you let us know as soon as possible if you are unable to attend an event after registering. \n\n\n\nPlease send us an email at training@enccs.se to cancel your attendance. \n\n\n\nWe understand things can change\, but repeated cancellations without notice may unfortunately result in your name being removed from future event registration lists. \n\n\n\n\n\n\n\nRegulations\n\n\n\nDue to EuroCC2 regulations\, we CAN NOT ACCEPT generic or private email addresses. Please use your official university or company email address for registration. \n\n\n\nThis training is for users who live and work in the European Union or a country associated with Horizon 2020. You can read more about the countries associated with Horizon2020 HERE.
URL:https://enccs.se/events/coderefinery-git-coding-tools-mar-26/
CATEGORIES:ENCCS Event
ATTACH;FMTTYPE=image/jpeg:https://media.enccs.se/2025/08/CodeRefinery-Event.jpg
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