Kamal Choudhary is an assistant professor in the Department of Materials Science and Engineering, with a joint appointment in Electrical and Computer Engineering at Johns Hopkins University. His research focuses on atomistic materials design using classical mechanics, quantum mechanics, and machine learning methods to accelerate experimental discovery. Choudhary served as a staff scientist at the National Institute of Standards and Technology (NIST). He is the creator of the widely used JARVIS (Joint Automated Repository for Various Integrated Simulations) infrastructure for materials design, hosted at NIST. He is also the developer of ChatGPT Material Explorer, a custom AI agent for materials science.
At AtomGPTLab, his work bridges theory, simulation, and artificial intelligence to advance the discovery and design of materials for applications in electronics, energy, and quantum technologies. His research interests include condensed matter physics, density functional theory, force fields, graph neural networks, large-language models and quantum computing algorithms. He has contributed to the computational discovery of materials such as 2D materials, solar absorbers, topological insulators, superconductors, thermoelectrics, metal-organic frameworks and dielectrics. He has published over 100 peer-reviewed articles, serves as an associate editor for Nature: npj Computational Materials, and is an editorial board member of Materials Today Communications, PRX Energy, and Machine Learning: Science and Technology journals. He is an active member of The Materials Society, American Physical Society, American Chemical Society, and Materials Research Society.
He earned his PhD in Materials Science and Engineering from the University of Florida in 2015.