Mathew Cherukara is a research and engineering leader who directs the Computational X-ray Science group at Argonne National Laboratory, applying machine learning to accelerate and extend x-ray and electron imaging, autonomous experimentation, and materials discovery. Over eight years at Argonne he has shepherded the development of convolutional and generative neural networks that turn raw 3D diffraction data into real-space images and use HPC-driven, multi-million-atom simulations as training data. He combines hands-on computational materials expertise (PhD from Purdue) with team leadership of ~15 scientists, four patent applications, and 60+ peer-reviewed papers at the intersection of AI and materials science. Notably, his work includes evolutionary-algorithm frameworks that cut force-field development from months to days while incorporating experimental and thermodynamic constraints, enabling faster, more realistic molecular dynamics models. Based in Lemont, IL, he frames AI as a tool to push imaging beyond hardware limits and to automate experiments that traditionally required human intuition.
8 years of coding experience
8 years of employment as a software developer
Indian Institute of Technology Madras
Doctor of Philosophy (Ph.D.), Computational Materials Engineering, 3.9, Doctor of Philosophy (Ph.D.), Computational Materials Engineering, 3.9 at Purdue University
Contributions:8 commits, 11 pushes, 1 branch in 9 months
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Mathew Cherukara - Group Leader, Computational X-ray Science