Application in Researches →

• XRED — X-ray Phase Identification Public Experimental Dataset (XRED)
• SimXRD-4M — X-ray Symmetry Identification Database & Benchmark | ICLR
• CPICANN — Crystallographic Phase Identifier with Convolutional Self-Attention Neural Network (CPICANN) | IUCrJ
• Bgolearn — Bayesian Global Optimization Package for Site Optimization in XRD Refinement | M&D
• XQueryer — AI-driven Advanced PXRD Identification Platform | Natl. Sci. Rev.

• AngleCalculator — Calculates the angle between two vectors given lattice constants (a, b, c) and lattice angles (α, β, γ).
• exQE — Assistive tools for DFT calculation, modeling, and data processing in Quantum Espresso.

WPEM is dedicated to unraveling intricate crystal structures and resolving heavily overlapping Bragg peaks in mixed X-rays and polycrystalline powder diffraction.

Our contributions include:

• Precise detection of subtle structural differences (e.g., α phase vs. α′ phase in Ti-Ni alloys)
• Differentiation of amorphous vs. crystalline contributions in polybutene
• Investigation of complex solid solution structures
• Computation of scattering information in organized processes

📬 We welcome collaborations and provide support in X-ray diffraction pattern refinement.
For inquiries, please contact: bcao686@connect.hkust-gz.edu.cn (Dr. Bin Cao)

🚀 Development of WPEM started in 2020, with a strong commitment to precision and open science. All code will be made openly available upon the final publication of our work.