4 papers
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…
XDecomposer: Learning Prior-Free Set Decomposition for Multiphase X-ray Diffraction
Hanyu Gao, Bin Cao, Yunyue Su +2
Multiphase powder X-ray diffraction (PXRD) analysis remains a fundamental bottleneck in structure identification, as real-world synthesis often produces complex mixtures whose cons…
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…
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…