XANE(3): An E(3)-Equivariant Graph Neural Network for Accurate Prediction of XANES Spectra from Atomic Structures. - Vitor F. Grizzi; Luke N. Pretzie; Jiayi Xu; Cong Liu (CoRR, 2026)

ChemGraph-XANES: An Agentic Framework for XANES Simulation and Analysis. - Vitor F. Grizzi; Thang Duc Pham; Luke N. Pretzie; Jiayi Xu; Murat Keçeli; Cong Liu (CoRR, 2026)