https://github.com/blokhin/materials-informatics-tutorial

A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data
https://github.com/blokhin/materials-informatics-tutorial

atomic-simulation-environment materials-informatics materials-science optimade

Last synced: 15 days ago
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A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data

• Host: GitHub
• URL: https://github.com/blokhin/materials-informatics-tutorial
• Owner: blokhin
• License: mit
• Created: 2022-07-17T15:18:25.000Z (almost 3 years ago)
• Default Branch: master
• Last Pushed: 2024-10-02T09:36:47.000Z (8 months ago)
• Last Synced: 2025-05-06T21:02:47.400Z (15 days ago)
• Topics: atomic-simulation-environment, materials-informatics, materials-science, optimade
• Language: Jupyter Notebook
• Homepage: https://tutorial.tilde.pro/
• Size: 2.59 MB
• Stars: 16
• Watchers: 3
• Forks: 2
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# Materials Informatics Introductory Tutorial

This lecture is a part of the winter semester course "Introduction to Computational Materials Design" at the Chair of Materials Engineering of Additive Manufacturing, Technical University of Munich (Germany).

An interactive set of slides is available at the [tutorial.tilde.pro](https://tutorial.tilde.pro) website.

The accompanying Python notebooks are available in the `notebooks` folder and live in the [Binder online executable environment](https://mybinder.org/v2/gh/blokhin/materials-informatics-tutorial/master?filepath=notebooks).

### The topics covered are:

- length scales (nanometers → meters)

- known initiatives and research groups to follow

- crystalline formats

- [Atomic Simulation Environment (ASE)](https://wiki.fysik.dtu.dk/ase/)

- online visualization of crystals with the [cifplayer](https://tilde-lab.github.io/cifplayer)

- phase diagrams and physical properties related to crystal structure

- [Materials Platform for Data Science](https://mpds.io)

- [Optimade](https://optimade.org) API standard

- Optimade [online aggregator](https://optimade.science)

- materials informatics community forums

- online researcher profile catalogues