Generating Analytical Tight-Binding Expressions from First-Principle Calculations

This repository holds most of what I did as part of my summer 2023 project at the Flatiron Institute Center for Computational Quantum Physics (CCQ). This mainly entails the investigation of the tight binding model on various toy models, and more importantly transition metal compounds.

Name		Name	Last commit message	Last commit date
Latest commit History 163 Commits
La2CuO4 Files		La2CuO4 Files
PdCoO2 Files		PdCoO2 Files
Poster and Research Presentations		Poster and Research Presentations
Simple Models		Simple Models
SrCaCu2O4 Files		SrCaCu2O4 Files
.gitignore		.gitignore
Comparing Minimal Models.png		Comparing Minimal Models.png
Minimum Tight-Binding Model Example.png		Minimum Tight-Binding Model Example.png
Plotting Minimal Models.ipynb		Plotting Minimal Models.ipynb
README.md		README.md
SymPyfy Tutorial.ipynb		SymPyfy Tutorial.ipynb
Tester.ipynb		Tester.ipynb
Tight-Binding Hamiltonian in Momentum-Space from Real Space using the Fourier Series.png		Tight-Binding Hamiltonian in Momentum-Space from Real Space using the Fourier Series.png
Tight-Binding Model_La2CuO4.ipynb		Tight-Binding Model_La2CuO4.ipynb
Tight-Binding Model_PdCoO2.ipynb		Tight-Binding Model_PdCoO2.ipynb
Tight-Binding Model_SrCaCu2O4.ipynb		Tight-Binding Model_SrCaCu2O4.ipynb

Collins-kariuk/Simons-Foundation-CCQ-Project

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Generating Analytical Tight-Binding Expressions from First-Principle Calculations

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