I’m an MSc Chemistry student at IIT Delhi working in computational materials science.
🔬 My research explores density functional theory (DFT) studies of hybrid copper iodide materials, with a focus on excited‑state energetics, self-trapped excitons and configuration coordinate analysis.
💻 I use VASP for electronic structure calculations and Python for post‑processing and visualization.
🌱 Currently learning non‑adiabatic effects and machine‑learning approaches for materials modeling.
✨ Fun fact: I’m happiest when a messy dataset becomes a clear story.
📫 Reach me at: alldaditya2580@gmail.com