Research Assistant, Powers Lab (X-SIG) — automated ML-oriented data generation from simulation trajectories
Developed and deployed automated trajectory control and rare-event detection workflows for simulation outputs. Used Python tooling to manage simulation runs and detect rare events in molecular-dynamics trajectories, producing structured results for further analysis. Automated data storage and job submission to ensure consistent generation of analysis-ready datasets. • Automated trajectory control via a custom Python package • Rare-event detection from simulation trajectories • Supercomputer deployment and automated job submission • Systematic data storage for downstream analysis