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URL: https://github.com/WPEM

⇱ AI XRD analyzer : WPEM · GitHub


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AI XRD Analyzer: WPEM


About WPEM

WPEM is a research project dedicated to resolving complex crystal structures and heavily overlapping Bragg peaks in mixed X-ray diffraction and polycrystalline powder diffraction data.

The project is led by Bin Cao and focuses on combining physics-based diffraction theory with modern AI techniques to improve the reliability and precision of structural characterization.


Research Capabilities

The WPEM framework enables several advanced diffraction analysis tasks:

  • Detection of subtle structural differences
    (e.g., distinguishing α phase vs. α′ phase in Ti–Ni alloys)

  • Separation of amorphous and crystalline components
    in complex polymer systems such as polybutene

  • Analysis of complex solid-solution structures
    in multi-component materials

  • Computation and interpretation of diffraction scattering information
    across the entire diffraction pattern


Project Vision

WPEM aims to build a high-precision computational framework for X-ray diffraction analysis, enabling more reliable structural identification in complex materials systems.

The project started in 2020 with a long-term goal of promoting open and reproducible scientific research in diffraction analysis.


Collaboration

We welcome collaborations in areas including:

  • X-ray diffraction analysis
  • crystal structure refinement
  • AI-assisted materials characterization

If you are interested in collaborating or applying WPEM to your research, please contact:

📧 bcao686@connect.hkust-gz.edu.cn

Pinned Loading

  1. CPICANN Public

    [IUCrJ 2024] Crystallographic Phase Identifier of Convolutional self-Attention Neural Network

    6

  2. XRED Public

    X-Ray phase Identification public Experimental Dataset (XRED)

    Jupyter Notebook 4 1

  3. CGWGAN Public

    [JMI 2024] Crystal Generative Framework based on Wyckoff Generative Adversarial Network

    Python 9 1

Repositories

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