About Me
Hi! Iām Daniel Woodard, but I go by Gus. I am currently a second-year undergrad student at Presbyterian College. Iām currently exploring opportunities in Chemistry.
š Skills & Technologies
- Python
- VS Code
- Unix
š Projects Contributions
Automating the Fragmentation of Proteins
Description: Enzymes and proteins are large organic molecules that are difficult to simulate due to the lack of computational power. In order to simulate their energy, they must be broken down into amino acids. This is NWChem with the Nova supercomputer provided by Iowa State University.
Project Contributions: During the summer of 2025, I developed several Python scripts to support computational chemistry workflows. These included a script to read and parse PDB files, a converter that transformed dipeptide XYZ files into NWChem input files, and a script that extracted energy values from NWChem output files.
Link: GitHub Repo
š Goals for This Internship
- Learn more about real world version control workflows (Git)
- Gain real world lab and research experience.
- Build strong Python + Linux foundations