Materials Informatics 101

Informatics is the use of computational tools (e.g. AI, machine learning) to access and make sense of data. Materials Informatics has the potential to accelerate scientific inquiry and support novel insights. However, informatics tools are typically marketed to the biological sciences, financial sector, and “Big Tech”—it is not immediately clear how to use “cat-detector technology” to support serious materials science!

The materials on this site are part of a hands-on workshop aimed at training material scientists to use programming-based informatics tools. In this workshop, you will create reproducible data workflows, automate tedious data extraction, visualize data for exploration, and apply AI/ML models for their predictive capabilities.

GATech IMAT 2021 Workshop Schedule

All workshop sessions will run from noon to 2pm Eastern time, on Zoom. If you registered for the workshop, you will receive a Zoom link via your registered email. Each day of the workshop will include some amount of hands-on work during the live session, and Days 1 – 3 will include a take-home Python notebook to solidify skills. Office hours will also be offered outside the workshop hours to provide support on the take-home notebooks.





Friday, Oct. 8

Introduction, data extraction

00 (Day)

Python introduction

01 (Take-home)


Saturday, Oct. 9

Data wrangling and tidy data

02 (Day)

Programmatic data management

03 (Take-home)


Sunday, Oct. 10

Principles of visualization


Visualizing with plotnine

04 (Take-home)


Monday, Oct. 11

ML Fundamentals

05 (Day)

(End of workshop: No take-home notebook!)


Office Hours

Office hours will be held from 4 – 5pm on Friday, Oct. 8 through Sunday, Oct. 10 (NB. Not on Monday the 11th!). Please use the same Zoom link that you received for the main workshop to access the office hours call. You are welcome to come to office hours with any questions about the workshop materials; in particular, to get help on completing the take-home notebooks.

Colab Option for Broken Software

If you haven’t managed to get your software installation working, I’ve prepared this set of Google Colab compatible notebooks. Just click that link and follow the instructions to get the notebooks running in a cloud-based environment.

About the Author

Zach del Rosario is on the faculty at Olin College. He helps scientists and engineers reason about uncertainty.