ML-enhanced resonant soft X-ray scattering enables sub-monolayer tracking of buried-interface molecular states
carbon-lab · hf · 2026-10-29
carbon-lab released research on Hugging Face using machine learning-enhanced optical modeling of polarized resonant soft X-ray scattering to quantitatively analyze molecular orientation and packing at buried interfaces with depth resolution.
The approach combines structural models (thickness/roughness of surface, interface, and bulk) with ML-DFT-constrained optical constants and freely fitted anisotropic dielectric tensors, fitting scattering curves across energies (284–289 eV and 250 eV) to track molecular conformational states at sub-monolayer precision — an AI-for-Science materials characterization method.
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