- 🔭 Graduate Student Researcher at Georgia Tech in the Sherrill Group
- 🌱 Currently learning more C++ for Psi4 development
- 💻 Neovim (nvim config)
- Computer-based drug design
- Symmetry Adapted Perturbation Theory (SAPT) for understanding drug design
- Cheaper dispersion methods
- Improved docking scoring functions
- Machine Learned Force Field (MLFF) development
- Highly distributed parallelization for high-throughput dataset generation (hrcl_jobs)
- Astrochemistry
- dyesdb.com
- Visualizes electronic excited state energies for thousands of Vis-NIR organic dyes for dye sensitized solar cells (DOI:10.1039/D3DD00023K)
- Provides a browser interface for 0nset, a tool for computing the λ onset value for dyes (DOI:10.1016/j.jqsrt.2021.107544)
- Collaborated with mvee18 to create r410berry.com for the Computational Astrochemistry Research Group @ Ole Miss
- Wrote the frontend in
React.js
- Deployed and maintained website on a Linode server