Welcome to my website!

Hi! I’m Prateek Kumar Pandey, an AI Engineer at Genpact, and. I’m interested in computational methods for molecular simulation, statistical mechanics of chemical systems, numerical methods and high-performance computing, and machine learning for scientific computing.

I completed a dual degree (B.Tech. + M.Tech.) in Chemical Engineering at IIT Kanpur in 2025, with a minor in Industrial & Management Engineering. For my master’s thesis, advised by Dr. Vishal Agarwal and Dr. Swarnendu Biswas, I developed THE2D, a method for computing electrostatic interactions in slab (2D-periodic) systems. It combines a top-hat-function formulation of Ewald summation with FFT-accelerated particle-mesh evaluation and, for a 10k-ion system, runs 13.6× faster than the standard 2D-PME method at the same accuracy. I presented this work at the IEEE HiPC 2025 workshop, and a full paper is under review at the Journal of Chemical Theory and Computation. See my publications.

At Genpact, I build LLM-based and agentic AI systems for business workflows, including price-claims reconciliation, and retail pricing analytics. Before that, I interned at Colgate-Palmolive, where I built a production scheduling tool for their manufacturing lines, and at Medetronix Labs, where I worked on a prototype femtoampere current analyzer. More details are on my experience page.