AI | Simulations | Experiments
The whole is greater than the sum of its parts
Our Mission
The mission of the Shukla Group is to train the next generation of interdisciplinary scientists at the intersection of AI, molecular simulations and experimental biology. We provide researchers with a collaborative, high-impact environment and empower them to decode complex molecular processes and engineer transformative solutions for health, energy, and sustainable agriculture.
If you are interested in learning more about our research and available positions, please contact our PI at diwakar [at] Illinois [dot] edu.!
Open Positions, Fall 2026 or Spring 2027: We are actively recruiting multiple graduate students for projects related to Artificial Intelligence, molecular simulations and high-throughput experiments for protein engineering and drug discovery.