sd_hide_title: true
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! 🥹)
1. 📖 Read as a Web Book#
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!
2. 🔄 Incoming Updates#
I’m currently learning quantum mechanics and exploring high-throughput computational methods to calculate material properties more accurately. I’m also trying to understand:
Machine Learning Force Fields
AI for Quantum Chemistry (AIQC)
Fitting Force field or Wave functions might be a good approach to balance accuracy and computational cost.
📌 I’ll continue to publish notes as I make progress.
💡 Also looking for advice and feedback from the community! 🥰