Dr. Kamal Choudhary

Biography

Kamal Choudhary is an assistant professor in the Department of Electrical and Computer Engineering at Johns Hopkins University with a joint appointment in the Department of Materials Science and Engineering. His research focuses on atomistic materials design through the utilization of classical mechanics, quantum mechanics, and machine learning methods to expedite experimental discovery. Previously, he served as a staff scientist at the National Institute of Standards and Technology (NIST), where he developed widely used infrastructures for materials design, such as the Joint Automated Repository Integrated Simulations (JARVIS). Currently, he heads AtomGPTLab, where his work merges theory, simulation, and artificial intelligence to advance the discovery and design of materials applicable in electronics, energy, and quantum technologies. His research interests encompass condensed matter physics, density functional theory, force fields, graph neural networks, large language models, and quantum computing algorithms. Choudhary has contributed to the computational discovery of essential materials, including 2D materials, solar absorbers, topological insulators, superconductors, thermoelectrics, and metal-organic frameworks. He has published over 100 peer-reviewed articles and serves as an associate editor for Nature: npj Computational Materials, as well as being involved with various other academic journals. Elected as a Fellow of the American Physical Society Topical Group Data Science in 2025, he is an active member of the Materials Society, American Physical Society, American Chemical Society, and Materials Research Society.

Research Interests