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cond-mat.mtrl-sci2025
The Loss Landscape of Powder X-Ray Diffraction-Based Structure Optimization Is Too Rough for Gradient Descent
Nofit Segal, Akshay Subramanian, Mingda Li +2
Solving crystal structures from powder X-ray diffraction (XRD) is a central challenge in materials characterization. In this work, we study the powder XRD-to-structure mapping usin…
cond-mat.mtrl-sci2018
Quantized dislocations for functional and quantum materials
Mingda Li, Ricardo Pablo-Pedro
Dislocations have a profound influence on materials functional properties. In this perspective, we discuss the recent development of quantized dislocations - a theoretical tool tha…