In this boot camp you will learn the minimal set of computer skills that are required to survive in our computational chemistry group. We will first focus on acquiring high-level skills using freely available resources that run in your browser. Typically, those freely available resources are not enough to fully power our research. As such, we will break free from the confines of those resources and transition to running software on your local system and, finally, in the cloud.
Assignment: We urge you to apply the skills you learn in the capstone project, where you will implement Restricted Hartree-Fock.
| Training | Technologies |
|---|---|
| Coding in the browser | Github, LaTeX/Overleaf, SciPy-Stack/Colab |
| Coding locally | Git, VSCode, Docker, Jupyter, VSCode: LaTeX workshop |
| Coding in the cloud | HPC/modules, Singularity/Apptainer |