The rapid development of high-brilliance X-ray sources is transforming the capabilities of X-ray spectroscopy (XS), enabling unprecedented insight into the local geometric, electronic, and spin structure of matter across a wide range of chemical, biological, and materials systems. Realising the full potential of these experimental advances requires equally sophisticated theoretical approaches capable of establishing robust links between measured spectra and their underlying physical origins. However, accurate simulations of core-level spectroscopies remain computationally demanding, particularly for medium- to large-scale systems where numerous calculations are often required to describe all relevant core excitations and final states. The UK High-End Computing Consortium for X-ray Spectroscopy (HPC-CONEXS) has been established to address these challenges by leading the development, optimisation, and dissemination of advanced computational tools for X-ray spectroscopy. By bringing together expertise from across the UK XS community, HPC-CONEXS aims to strengthen the synergy between experiment and theory, enabling more detailed interpretation of spectroscopic measurements and maximising the scientific impact of the substantial UKRI investment in next-generation X-ray facilities. In this webinar I would spotlight some of the work and progress that has been made by the Consortium, including the development of high-level first principles method, machine learning models and collaborations with experimental groups.
This online session is open to all. It will use Teams and you can join from your browser (no account required).