MS Chemical & Biomolecular Engineering @ University of Pennsylvania Rappé Lab | Energy Materials | Computational Research
I'm a chemical engineer working at the intersection of computational materials science, electrochemistry, and clean energy. My work spans DFT simulations, molecular dynamics, and device-level modeling of energy systems — with a focus on translating research into real-world impact.
- 🔬 Researcher at the Rappé Lab, UPenn — DFT & hybrid perovskite simulations
- 📄 Springer-published paper on ionic transport via MD simulation
- ⚡ 2 granted patents + (1 under review) in energy device technologies
- 🎓 BE Chemical Engineering, VIT Vellore
- Battery materials & electrochemical energy storage
- Perovskite solar cells & photovoltaics
- Computational materials discovery (DFT, MD)
- Clean energy manufacturing & process engineering
| Project | Description | Tools |
|---|---|---|
| 🔋 CathodeAI — Battery Cathode Discovery Engine | 8-layer ML screening tool for Li-ion cathode materials — Pareto optimization, supply chain scoring, novel composition generation | Python, Pymatgen, Random Forest |
| ☀️ Perovskite Solar Cell Optimization | SCAPS-1D simulation — 27.99% PCE, 2 granted patents | SCAPS-1D, Python |
| 🧪 Ionic Transport MD Simulation | Springer 2024 — IL-CNT interfacial interactions | NAMD, OPLS-AA |
(Projects being actively updated)
- 📰 Publication — Ionic transport in solid electrolytes via MD simulation, Springer
- ⚡ Design Patent 1 — Energy device technology (granted)
- ⚡ Design Patent 2 — Energy device technology (granted)
- ⚡ Utility Patent 3 — Energy device technology (under review)