The National Science Foundation (NSF) Division of Chemistry awarded a $508,776 Project Grant to The Ohio State University under the Mathematical and Physical Sciences (CFDA 47.049) program. The grant supports the development of theoretical methods and computational tools to understand the spectroscopy of transition metal systems, which are crucial for solar energy applications such as photocatalysts. The research aims to complement emerging ultrafast X-ray experimental techniques by providing new computational approaches to simulate core-level spectroscopy and transient X-ray experiments in transition metal materials like solid-state metal oxides. The project will make the developed software tools available to the research community and incorporate the work into teaching activities through a partnership with the Ohio Supercomputer Center. The award period runs from July 1, 2024 to June 30, 2027.