VIP Materials

Welcome to the VIP portion of the Medford group training materials. Here, you will find a brief enumeration of the lectures and exercises that you will be expected to complete as part of the training sub-team. You are more than welcome to explore the additional content, and you may find it helpful to return here after you’ve joined a sub-team for additional instruction. Keep in mind that you must complete the exercises enumerated here.

Lectures

• 1: Introduction to Basic Python Tools

• 2: Introduction to Manipulating Atoms in Python

• 3: Introduction to Linux and High-Performance Computing

• 4: Introduction to Density Functional Theory

• 5.3 Running DFT on PACE

• 6.3: Adsorption energy from DFT

• 7.2: Non-Parametric Models**

• 7.4: High Dimensional Data**

• 7.5: Dimensionality Reduction**

** Machine Learning lectures are provided for your information only and will not be lectured on this semester.

Exercises

• 1.6 All

• 2.4 Exercise 1 and 2.5 Exercise 1

• 3.3 All

• 6.4 Exercises 1 and 2