I am a computational chemist specializing in molecular simulations, enhanced sampling techniques, and machine learning–driven modeling of complex chemical systems. I completed my PhD in 2026 from IIT Delhi under the supervision of Prof. Tarak Karmakar, where my research was focused on monolayer-protected metal nanoclusters, their self-assembly mechanisms, catalytic behavior, and nanozyme-like activity.
My expertise includes molecular dynamics simulations, collective variable design, machine-learned interatomic potentials, and multiscale modeling approaches ranging from atomistic to coarse-grained frameworks. Currently, I am working as a Postdoc in IIT Genova under the supervision of Prof. Michele Parrinello.
