Atul Thakur

Atul Thakur is a senior application engineer for AI in chemistry and materials science at NVIDIA, where he works on the NVIDIA ALCHEMI team. A theoretical and computational chemist by training, he earned a PhD in chemistry from Rutgers University in 2024 and completed postdoctoral research at the University of California, San Diego, before joining NVIDIA. His work focuses on enabling GPU-accelerated chemistry and materials modeling.
Atul Thakur

Posts by Atul Thakur

Simulation / Modeling / Design Oct 29, 2026

Unlocking Tensor Core Performance for Machine Learning Interatomic Potentials

Atomistic simulations help researchers understand how molecules and materials behave, from chemical reactions and phase transitions to mechanical failure. These... 13 MIN READ