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SUMMARY:[ENCCS Webinar] Learning Electronic Structure from X-ray Spectrosc
 opy: Multiplet Theory\, Data\, and High-Performance Computing
DTSTART:20260303T110000Z
DTEND:20260303T143000Z
DTSTAMP:20260424T194100Z
UID:indico-event-365@spectra-indico-teszt.hinfra.hu
DESCRIPTION:About this webinar\nUnderstanding how electrons behave in comp
 lex 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 t
 he spectra and resultiing data often requires theoretical models and large
 -scale computations that can seem intimidating to newcomers.\nIn this webi
 nar\, we explore how X-ray spectroscopy combined with modern electronic-st
 ructure theory\, data analysis\, and high-performance computing (HPC) can 
 be used to understand redox chemistry and magnetism in transition-metal ox
 ides. Using examples from battery cathode materials and magnetic oxides\, 
 this webinar introduces how experimental techniques such as XPS and XMCD c
 an be interpreted with the help of multiplet ligand-field theory and advan
 ced electronic-structure calculations carried out on HPC platforms.\nThe f
 ocus is on physical intuition and conceptual understanding\, offering a ge
 ntle introduction to how spectroscopy\, data\, and large-scale computation
  work together in materials research.\nWho is the webinar for\nThis webina
 r is intended for:\n\n\nResearchers in academia\, industry\, or related fi
 elds seeking an accessible overview of spectroscopy-based materials analys
 is and data interpretation\n\n\nExperimentalists interested in how theoret
 ical models and high-performance computing (HPC) support the analysis of c
 omplex spectroscopic data\n\n\nGraduate students and advanced undergraduat
 es in physics\, chemistry\, or materials science\n\n\nNo prior experience 
 with multiplet theory\, density functional theory (DFT)\, or many-body met
 hods is required. Familiarity with basic concepts from solid-state or atom
 ic physics is sufficient\; the role of data and HPC in modern electronic-s
 tructure studies will be introduced at a conceptual level.\nKey takeaways\
 nBy the end of this webinar\, participants will:\n\n\nUnderstand why inter
 preting X-ray spectroscopic data often requires theoretical modeling\, and
  the role multiplet ligand-field theory plays in connecting models to meas
 ured spectra.\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 enab
 led by high-performance computing (HPC)\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 resu
 lts are compared and validated\n\n\nSpeaker and moderator\n\n\nRuiwen Xie\
 n\n\nYonglei Wang/Wei Li\n\n\nFor any questions contact us at training@enc
 cs.se\n \nDisclaimer\nDue to EuroCC2 regulations\, we CAN NOT ACCEPT gene
 ric or private email addresses. Please use your official university or com
 pany email address for registration.\nThis training is for users that 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.\n
 \nhttps://spectra-indico-teszt.hinfra.hu/event/365/
LOCATION:Online
URL:https://spectra-indico-teszt.hinfra.hu/event/365/
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