About
I am a computational scientist specializing in biomolecular simulations and building machine learning (ML) models for molecular and biochemical systems. My work focuses on predicting redox properties, such as redox free energy, electronic coupling constant, and vertical energy gaps in complex environments.
I develop hybrid approaches that combine classical molecular dynamics (MD) simulations with quantum mechanical (QM) calculations (referred to as QM/MM method) to obtain molecular properties. These calculations are accurate, but expensive which necessitates building data-driven models to reduce computational cost while maintaining the accuracy.
Currently, I am a postdoctoral scholar in Prof. Atanu Acharya's group at Syracuse University. I am interested in transitioning from academia to industry roles in computational chemistry, molecular modeling, and data science.
