Medford Group Graduate Training

This jupyter-book contains the training exercises cultivated by the Medford group designed to prepare new graduate students to conduct the highest quality computational research.

These lectures and exercises are designed to introduce concepts central to computational catalysis, machine learning, and the confluence of these fields. The goal is not to be comprehensive, but rather to provide a conceptual introduction coupled with challenging exercises that will probe and expand student’s understanding and ability to apply the concepts to generate unique results.