Intern - Computational Chemistry
Core
Build structure–property relationships for smart precursor discovery using computational chemistry and AI-driven materials research.
Role type
Computational Chemistry Intern (Data Science & AI focus)
Builds
Machine-readable chemical libraries, predictive models for property estimation, and internal knowledge bases for future AI projects.
Domain
Semiconductor materials, advanced materials research, computational chemistry
Deliverable
production ML models | research
Required skills
Computational chemistry workflows, DFT simulations, Python programming, Jupyter notebooks, data pre-processing, feature engineering, molecular descriptor analysis
Preferred skills
Machine learning, artificial intelligence, Python ML scientific libraries, literature data collection
Technologies
Python, Jupyter notebooks, DFT tools, online chemical databases
Responsibilities
Import or create molecular structures and 3D geometries, collect and organize literature data, perform descriptor calculations, run DFT calculations on select molecules, develop and refine predictive models, document workflows
Seniority
Intern