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

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

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

Last synced: about 1 month ago
JSON representation

• Host: GitHub
• URL: https://github.com/blokhin/materials-informatics-tutorial
• Owner: blokhin
• License: mit
• Created: 2022-07-17T15:18:25.000Z (over 2 years ago)
• Default Branch: master
• Last Pushed: 2024-10-02T09:36:47.000Z (3 months ago)
• Last Synced: 2024-12-01T06:06:09.063Z (about 1 month ago)
• Topics: atomic-simulation-environment, materials-informatics, materials-science, optimade
• Language: Jupyter Notebook
• Homepage: https://tutorial.tilde.pro
• Size: 2.59 MB
• Stars: 13
• Watchers: 3
• Forks: 2
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

Awesome Lists containing this project

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