Performed DFT calculations on numerous crystalline phases to predict formation likelihood in experiments
Identified and synthesized two engineered artificial minerals (EnAM) for recovery of Ta and Co from fayalite slag
Conducted molecular dynamics simulations combined with machine learning and enhanced sampling techniques to investigate crystal nucleation and growth from melt
Collaborated closely with experimental partners as part of DFG SPP2315 project toward recovery of critical elements from industrial wastes
Ph.D. Researcher
Indian Institute of Technology Guwahati
Conducted computational studies on Li/Na-ion conducting solids to understand diffusion mechanisms at the atomic scale
Employed classical and ab initio molecular dynamics, metadynamics, and nudged elastic band method
Focused on superionic conductors for all-solid-state batteries