DFT on MSU High Performance Computing

This tutorial will demonstrate how to get a high performance computing (HPC) account at MSU, how to get access to ORCA and Gaussian on HPC, and how to submit DFT calculations on HPC. The tutorial aims to be accessible to folks with no coding experience. Download a pdf of the tutorial here.

We are eager to make DFT more accessible to synthetic chemists. If you run into issues while following the tutorial, please let us know via email.

Thanks to Rebecca Brew for preparing the tutorial and Mitchell Maday for writing the submission script.