AI model can reveal the structures of crystalline materials

The article discusses a new AI model developed by MIT chemists that can determine the structures of crystalline materials, even from powdered samples. Traditionally, X-ray crystallography has been used to analyze crystal structures, but this method struggles when the material is in a powdered form. The AI model, called Crystalyze, uses machine learning to predict the arrangement of atoms in crystalline materials by analyzing their diffraction patterns. The model was trained on data from the Materials Project and successfully solved previously unsolved diffraction patterns. This breakthrough could advance materials research in fields like battery technology and magnet design by revealing the structures of complex crystalline materials more efficiently.

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