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cond-mat.mtrl-sci2026
XMatcher: An Open-Source Framework for X-Ray Diffraction Phase Identification
Bin Cao
Powder X-ray diffraction (XRD) is widely used for crystalline phase identification, and recent machine learning approaches have demonstrated remarkable capabilities in accelerating…
cond-mat.mtrl-sci2026
Beyond Structure: Invariant Crystal Property Prediction with Pseudo-Particle Ray Diffraction
Bin Cao, Yang Liu, Longhan Zhang +6
Crystal property prediction, governed by quantum mechanical principles, is computationally prohibitive to solve exactly for large many-body systems using traditional density functi…
cond-mat.mtrl-sci2025
Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey
Zhixun Li, Bin Cao, Rui Jiao +9
Materials are the foundation of modern society, underpinning advancements in energy, electronics, healthcare, transportation, and infrastructure. The ability to discover and design…