Gabriela Campbell

Gabriela Campbell

About Me

Hi! I’m Gabriela Campbell, a 4th year undergrad at Butler University’s College of Liberal Arts and Sciences. I’m majoring in pure mathematics with a minor in computer science, and am passionate about computational mathematics, machine learning, and algorithm analysis. Some of my research interests are in representations of Lie Algebras, as well as physical chemistry, specifically in modelling electron transmissions in chains of atoms.

🛠 Skills & Technologies

  • Programming Languages: Python, C++, Java
  • Tools: Git, VS Code
  • OS: Linux, Windows
  • Others: Mathematica, LaTeX

📚 Projects or SIMCODES Contributions

📌 Automating the Fragmentation of Proteins

Description: The fragmentation of proteins provides a way to approximate the energy of large systems through the summation of fragment energies within that system using the many-body expansion (MBE). As calculations need to be run on systems with thousands of atoms, MBE is necessary to reduce time complexity. However, the approximation is dependent on the fragments being used. Ideally, fragments will be large enough to maintain accuracy, but small enough so that they can be run efficiently. This project aims to test fragmentation by amino acid within proteins, as well as provide the groundwork for the training of ML approaches to fragmentation. Contributions: During the 2025 session, I wrote PDB_Filemaker which converts PDB files to the .xyz format. It has additional functionality such as fragmenting proteins by amino acid and recording where fragmentation took place. There are a few functions within the program which also test for correctness in the molecule, for example if it has a charge and on what atom is that charge (get_all_bonds in bond_info.py). Although this is a non-ML approach to fragmentation, one future goal is to use the code to generate training data for ML approaches to fragmentation.

  • Link to GitHub Repo: https://github.com/SIMCODES-ISU/Campbell_Repo Tech Stack: Python, GitHub, SQLite —

📚 Advice for Future Students

For Prospective Students: SIMCODES is a great way to further professional experience while getting to see what graduate-level research is like! I’d highly recommend applying to the program if chemistry or machine learning are interesting to you. The program explores these topics in a way that is appropriate for students with varying levels of experience, and allows the researcher freedom to suggest avenues of development on their project. You’ll get experience working with a team to tackle problems, develop professional relationships with ISU staff, and apply concepts you learned in coursework. Also, Iowa is a great place to spend the summer!

📈 Goals for This Internship

  • Learn more about real-world version control workflows (Git)
  • Analyze code from a mathematic perspective
  • Build strong Python + Linux foundations
  • Gain further experience in physical chemistry research

🔗 Links

  • GitHub: @gecampbell6202
  • LinkedIn: [https://www.linkedin.com/in/gabriela-campbell-b6b77b377/]
  • Midterm Presentation: Link
  • Poster: Link