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A collection of jupyter notebooks for quantum mechanics tutorials.

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Quantum Mechanics and Computational Materials Science

description: This is a repository for tutorials in quantum mechanics and computational materials science.

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Section 1: Numerical solution for 1D Schrödinger equation

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 Binder Materials Cloud Tool osscar-qmcourse
Two Quantum Wells The solution for 2 quantum wells Two Quantum Wells Binder Materials Cloud Tool osscar-qmcourse
Asymmetric Well Avoided crossing in an asymmetric well Asymmetric Well Binder Materials Cloud Tool osscar-qmcourse
Shooting method Shooting method with Numerov algorithm Shooting method Binder Materials Cloud Tool osscar-qmcourse
SOFT Split operator Fourier transform method SOFT Binder Materials Cloud Tool osscar-qmcourse

Section 2: Band Theory of Crystals

Here are the tutorials to demonstrate the band theory of crystal systems.

Name Description Notebook links Binder Materials Cloud
Pseudopotentials Norm-conserving pseudopotentials Pseudopotentials Binder Materials Cloud Tool osscar-qmcourse

Acknowledgements

We acknowledge support from the EPFL Open Science Fund via the OSSCAR project.

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A collection of jupyter notebooks for quantum mechanics tutorials.

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