Nature

Symmetry prediction and knowledge discovery from X-ray diffraction patterns using an interpretable machine learning approach

Determination of crystal system and space group in the initial stages of crystal structure analysis forms a bottleneck in material science workflow that often requires manual tuning. Herein we propose ...
Nature

Identification of crystal symmetry from noisy diffraction patterns by a shape analysis and deep learning

The robust and automated determination of crystal symmetry is of utmost importance in material characterization and analysis. Recent studies have shown that deep learning (DL) methods can effectively ...