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.
Open Postdoc Positions, Spring 2027: We are hiring two Postdoctoral Research Associates for projects focused on artificial intelligence and molecular simulations. We seek candidates with a Ph.D. in Chemical Engineering, Bioengineering, Biophysics, Chemistry, or a related discipline. Applicants must have expertise in: 1) ML/AI applied to biological systems or structural biology. 2) Molecular dynamics simulations and computational biophysics.
To apply: Please send a single PDF containing a cover letter, CV, and contact information for three references to diwakar@illinois.edu.