Visit the Github Pages for a nicely formatted HTML page and notebook search functionality.

Introduction

This repo is started by the Materials Virtual Lab as a useful collection of Jupyter notebooks that demonstrate the utilization of open-source codes for the study of materials science.

We frequently get requests (from students, postdocs, collaborators, or just general users) for example codes that demonstrate various capabilities in the open-source software we maintain and contribute to, such as the Materials Project software stack comprising Python Materials Genomics (pymatgen), Custodian, and Fireworks. This repo is a start at building a more sustainable path towards sharing of code examples.

It is not limited to the codes we develop - any use of open source software for materials analysis is welcome. Also, anyone is welcome to contribute.

Running the examples from a browser

| |        |          |         | | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ | ------------------------------------------------ | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | | 2013-01-01-Basic functionality | ![Binder] | [![Launch Codespace]][codespace url] | ![Open in Google Colab] | | 2013-01-01-Calculating Reaction Energies with the Materials API | ![Binder] | [![Launch Codespace]][codespace url] | ![Open in Google Colab] | | 2013-01-01-Calculating XRD patterns | ![Binder] | [![Launch Codespace]][codespace url] | ![Open in Google Colab] | | 2013-01-01-Getting crystal structures from online sources | ![Binder] | [![Launch Codespace]][codespace url] | ![Open in Google Colab] | | 2013-01-01-Ordering Disordered Structures | ![Binder] | [![Launch Codespace]][codespace url] | ![Open in Google Colab] | | 2013-01-01-Plotting and Analyzing a Phase Diagram using the Materials API | ![Binder] | [![Launch Codespace]][codespace url] | ![Open in Google Colab] | | 2013-01-01-Plotting the electronic structure of Fe | ![Binder] | [![Launch Codespace]][codespace url] | ![Open in Google Colab] | | 2016-09-08-Data-driven First Principles Methods for the Study and Design of | ![Binder] | [![Launch Codespace]][codespace url] | ![Open in Google Colab] | | 2016-09-08-Data-driven First Principles Methods for the Study | ![Binder] | [![Launch Codespace]][codespace url] | ![Open in Google Colab] | | **[2016-09-08-Data-driven First Principles Methods for the Study](https://github.com/materialsvirtuallab/matgenb/blob/master/notebooks/2016-09-08-Data-driven%20First%20Principles%20Methods%20fo