AutoMat reconstructs crystal structures from simulated STEM images by orchestrating denoising, template retrieval, symmetry-constrained atom fitting, and machine-learned-potential relaxation, and it outperforms existing baselines on the new STEM2Mat benchmark.
Atomic-resolution transmission electron microscopy of electron beam–sensitive crystalline materials
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AutoMat: Enabling Automated Crystal Structure Reconstruction from Microscopy via Agentic Tool Use
AutoMat reconstructs crystal structures from simulated STEM images by orchestrating denoising, template retrieval, symmetry-constrained atom fitting, and machine-learned-potential relaxation, and it outperforms existing baselines on the new STEM2Mat benchmark.