An LLM-orchestrated framework automates the full XANES workflow from natural language to normalized spectra and curated data.
The atomic simulation environ- ment—a python library for working with atoms.Journal of Physics: Condensed Matter, 29(27):273002
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ChemGraph-XANES: An Agentic Framework for XANES Simulation and Analysis
An LLM-orchestrated framework automates the full XANES workflow from natural language to normalized spectra and curated data.