description: This is a repository for tutorials in quantum mechanics and computational materials science.
Here are the tutorials to demonstrate numerical solution for 1D Schrödinger equation.
Name | Description | Notebook links | Binder | Materials Cloud |
---|---|---|---|---|
One Quantum Well | The solution for 1 quantum well | One Quantum Well | ||
Two Quantum Wells | The solution for 2 quantum wells | Two Quantum Wells | ||
Asymmetric Well | Avoided crossing in an asymmetric well | Asymmetric Well | ||
Shooting method | Shooting method with Numerov algorithm | Shooting method | ||
SOFT | Split operator Fourier transform method | SOFT |
Here are the tutorials to demonstrate the band theory of crystal systems.
Name | Description | Notebook links | Binder | Materials Cloud |
---|---|---|---|---|
Pseudopotentials | Norm-conserving pseudopotentials | Pseudopotentials |
We acknowledge support from the EPFL Open Science Fund via the OSSCAR project.