2 papers
cond-mat.mtrl-sci2026
Predicting core-level X-ray photoemission spectra of oxide surfaces from first principles -- a case study for SnO
Wenxuan Cai, Stefan Kucharski, Chris Blackman +2
X-ray photoemission spectroscopy (XPS) is a powerful technique to gain insight into the chemical properties of oxide surfaces. However, the interpretation of XPS spectra is notorio…
cond-mat.mtrl-sci2026
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…