About

Chemist, builder, explorer

I am a computational chemist working at the intersection of chemical-space exploration, quantum chemistry, machine learning, and scientific software.

Portrait of Sandip Giri

Research identity

My PhD research at IIT Kharagpur focused on automated chemical-space exploration using machine-learned potentials and data-driven property prediction. I build workflows that move from generating candidates to calculating, predicting, prioritizing, and communicating scientific results.

The longer-term goal is to extend this methodology from small molecules toward polymers, crystals, and metal–organic frameworks while clearly distinguishing current expertise from emerging directions.

Education

PhD, Chemistry — IIT Kharagpur, 2026
MSc, Chemistry — NIT Durgapur, 2020
BSc, Chemistry — Vidyasagar University, 2018