👀 Interests: Computational Materials Science, Electronic Structure Theory, Excited-State Non-Adiabatic Molecular Dynamics

🌱 Currently learning: Machine Learning for Materials, GNN-based Force Fields, High-Throughput Workflows
🧪 Research focus:

• Perovskites and related optoelectronic systems
• Chalcogenide materials
• Charge-carrier dynamics, hot-carrier physics
• Data-driven and ML-accelerated materials discovery

💻 Tools & methods:
DFT | AIMD | NAMD | VASP | Python | PyTorch | TensorFlow | MLFFs | HPC

📫 Reach me at: nikhil002.iitd@gmail.com
😄 Pronouns: He/Him

“More compute ≠ more insight — unless you ask the right questions.”