Programmatic Materials Informatics

This workshop is an introduction to Materials Informatics – using data science concepts to support answering materials science questions. This will be a hands-on workshop where you will learn primarily by doing.


  • Some familiarity with a programming language
  • Knowledge or interest in materials science


Setup Download files required for the lesson
00:00 1. Introduction What is this workshop about?
Why take a programmatic approach to materials informatics?
How do I get the most out of this workshop?
00:10 2. Introduction to Python and Jupyter What is python, and how do I use it?
What is jupyter, and how do I use it?
01:10 3. Introduction to the Citrination API What is an API, and how do I use it?
02:10 4. Data Cleaning Workshop How can I make my data ready for machine learning?
03:10 5. Programmatic Data Operations Why use programming to operate on data?
04:10 6. Principles of Visualization How are numbers displayed visually?
How do we design effective visualizations?
05:00 7. Visualizing in Python with matplotlib How do we visualize data in Python?
06:00 8. How To Not Get Fooled by Machine Learning What is the danger zone?
How do I train a machine learning model?
Why should I learn some statistics to do machine learning?
07:00 9. Introduction to Sequential Learning What is sequential learning?
08:00 10. Suggestions for Further Study How do I learn more?
08:00 Finish

The actual schedule may vary slightly depending on the topics and exercises chosen by the instructor.