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April 17, 2026cond-mat.mtrl-scics.AIphysics.chem-ph

ChemGraph-XANES: An Agentic Framework for XANES Simulation and Analysis

Vitor F. Grizzi, Thang Duc Pham, Luke N. Pretzie, Jiayi Xu, Murat Keceli, Cong Liu
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cond-mat.mtrl-sci, cs.AI, physics.chem-ph