Understanding 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.
In 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.
The 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.
This webinar is intended for:
Researchers in academia, industry, or related fields seeking an accessible overview of spectroscopy-based materials analysis and data interpretation
Experimentalists interested in how theoretical models and high-performance computing (HPC) support the analysis of complex spectroscopic data
Graduate students and advanced undergraduates in physics, chemistry, or materials science
No 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.
By the end of this webinar, participants will:
Understand why interpreting X-ray spectroscopic data often requires theoretical modeling, and the role multiplet ligand-field theory plays in connecting models to measured spectra.
Gain 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)
Develop 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
Ruiwen Xie
Yonglei Wang/Wei Li
For any questions contact us at training@enccs.se
Due to EuroCC2 regulations, we CAN NOT ACCEPT generic or private email addresses. Please use your official university or company email address for registration.
This 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.