2 papers
physics.chem-ph2026
A Graph Neural Network-Based Approach to XANES Data Analysis
Fei Zhan, Lirong Zheng, Haodong Yao +6
X-ray absorption spectroscopy (XAS) is an indispensable tool to characterize the atomic-scale three-dimensional local structure of the system, in which XANES is the most important…
physics.chem-ph2026
Universal rapid machine learning models for predicting unconvoluted and convoluted X-ray Absorption Spectra
Fei Zhan, Zhi Geng
X-ray absorption near edge structure (XANES) is an essential tool for elucidating the atomic-scale, local three-dimensional (3D) structure of given materials and molecules. The rap…