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zhkao authored Mar 17, 2020
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- UW DIRECT project of a general XRD image pattern classifier framework for predicting crystal structure.

## Table of Contents
- Background
- Purpose
- Repository Structure
- How to install
- Examples and Demos
- How to use our software
- License

## Background
All crystalline materials in nature have chemical and physical properties strongly dependent on atomic structures
- Single-crystal X-ray diffraction
- Limitations: nanosized crystals, intergrowth, and defects
- Powder X-ray diffraction
- Limitations: complex structures, multiphasic samples, impurities, peak overlaps
- Alternatives: electron crystallography (EC), high-resolution transmission electron microscopy (HRTEM)
- Requires considerable expertise on the operation of electron microscopes and crystallography

SOLUTION: to use CNN to predict crystal structure from any XRD pattern

## Purpose
This project will aim to use CNN to predict the crystal structure of a sample based upon its XRD pattern.
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