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Computational Materials Science Notes

My notes from studying Machine Learning with a materials science background as a beginner. These files mainly contain theoretical knowledge about AI and AI for materials.
🛠️ Practical code is still in progress (I'm working on it! 🥹)

📖 Read as a Web Book

🌐 View the online book here

This repository is published as an interactive web-based book using Jupyter Book, with full support for:

  • ✨ Properly rendered LaTeX math equations
  • 🔍 Full-text search
  • 📱 Mobile-friendly responsive design
  • 🎨 Clean, readable interface

Tip

The web version provides the best reading experience with proper math rendering and navigation!

🔄 Incoming Updates

Recently, I have learned Quantum mechanics and Atomic simulation like DFT, etc. I will update it soon. Also, hoping to update the some fanscinating papers and some knowlege about the intersection between Computational Chemistry and AI.

📌 I’ll continue to publish notes as I make progress.

💡 Also looking for advice and feedback from the community! 🥰

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My notes from study computational materials from material science background as a beginner

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