diff --git a/README.md b/README.md index 69aa2fb..ef9f23e 100644 --- a/README.md +++ b/README.md @@ -1,21 +1,22 @@ -# Quantum Mechanics +# Quantum Mechanics and Computational Materials Science -**description**: This is a repository for tutorials in quantum mechanics. - -### Numerical solution for 1D Schrödinger equation - -Here are the tutorials to demonstrate numerical solution for 1D -Schrödinger equation. +**description**: This is a repository for tutorials in quantum mechanics and computational materials science. * Try on `Materials Cloud` (fast, a few seconds to load) [![Materials Cloud Tool osscar-qmcourse](https://raw.githubusercontent.com/materialscloud-org/mcloud-badge/main/badges/img/mcloud_badge_tools.svg)](https://osscar-quantum-mechanics.materialscloud.io/voila/render/index.ipynb) * Try on `BinderHub` (can take > 1 minute to load) [![badge](https://img.shields.io/badge/OSSCAR-binder-E66581.svg?logo=data:image/png;base64,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)](https://mybinder.org/v2/gh/osscar-org/quantum-mechanics/develop?urlpath=%2Fvoila%2Frender%2Fnotebook%2Findex.ipynb) +### 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](./notebook/1quantumwell.ipynb) | [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/osscar-org/quantum-mechanics/develop?urlpath=%2Fvoila%2Frender%2Fnotebook%2F1quantumwell.ipynb) | [![Materials Cloud Tool osscar-qmcourse](https://raw.githubusercontent.com/materialscloud-org/mcloud-badge/main/badges/img/mcloud_badge_tools.svg)](https://osscar-quantum-mechanics.materialscloud.io/voila/render/1quantumwell.ipynb) | | Two Quantum Wells | The solution for 2 quantum wells | [Two Quantum Wells](./notebook/2quantumwells.ipynb) | [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/osscar-org/quantum-mechanics/develop?urlpath=%2Fvoila%2Frender%2Fnotebook%2F2quantumwells.ipynb) | [![Materials Cloud Tool osscar-qmcourse](https://raw.githubusercontent.com/materialscloud-org/mcloud-badge/main/badges/img/mcloud_badge_tools.svg)](https://osscar-quantum-mechanics.materialscloud.io/voila/render/2quantumwells.ipynb) | | Asymmetric Well | Avoided crossing in an asymmetric well | [Asymmetric Well](./notebook/asymmetricwell.ipynb) | [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/osscar-org/quantum-mechanics/develop?urlpath=%2Fvoila%2Frender%2Fnotebook%2Fasymmetricwell.ipynb) | [![Materials Cloud Tool osscar-qmcourse](https://raw.githubusercontent.com/materialscloud-org/mcloud-badge/main/badges/img/mcloud_badge_tools.svg)](https://osscar-quantum-mechanics.materialscloud.io/voila/render/asymmetricwell.ipynb) | +| Shooting method | Shooting method with Numerov algorithm | [Shooting method](./notebook/shooting_method.ipynb) | [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/osscar-org/quantum-mechanics/develop?urlpath=%2Fvoila%2Frender%2Fnotebook%2Fshooting_method.ipynb) | [![Materials Cloud Tool osscar-qmcourse](https://raw.githubusercontent.com/materialscloud-org/mcloud-badge/main/badges/img/mcloud_badge_tools.svg)](https://osscar-quantum-mechanics.materialscloud.io/voila/render/shooting_method.ipynb) | | SOFT | Split operator Fourier transform method | [SOFT](./notebook/soft_intro.ipynb) | [![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/osscar-org/quantum-mechanics/develop?urlpath=%2Fvoila%2Frender%2Fnotebook%2Fsoft_intro.ipynb) | [![Materials Cloud Tool osscar-qmcourse](https://raw.githubusercontent.com/materialscloud-org/mcloud-badge/main/badges/img/mcloud_badge_tools.svg)](https://osscar-quantum-mechanics.materialscloud.io/voila/render/soft_intro.ipynb) |