Research Assistant, Computational simulations and ML model development using reaction and spectroscopy data
In this role, you supported machine learning development by preparing and using historic chemical-reaction data to build a model for predicting reaction yields. You also applied spectroscopic measurements to product study work that would translate into structured inputs/outputs for downstream modeling. The work involved coding-driven data preparation and model-oriented evaluation to support reliable predictive outcomes. • Used Gaussian and Python to run computational simulations that generate model-ready numeric data • Built or contributed to a machine learning model predicting reaction yields from prior records • Optimized reaction conditions based on measured NMR/IR findings to improve yield • Produced research outputs (reports/publication) from analyzed datasets for model and scientific validation