AtomGPTLab
Accelerating Materials Discovery & Design with Agentic AI
1M+ materials calculations | 10,000+ users worldwide | 50+ institutions
Welcome to AtomGPTLab
We are part of the Departments of Materials Science & Engineering (MSE), Electrical & Computer Engineering (ECE), and the Data Science & AI Research Institute (DSAI) at Johns Hopkins University. Our lab develops agentic AI frameworks for materials science, integrating multiscale simulation and experimental capabilities to accelerate discovery and design of next-generation materials. Explore our tools at atomgpt.org and github.com/atomgptlab.
Recent News & Updates
December 2025
AGAPI Platform Launch
Released open-access agentic AI platform (AtomGPT.org API) integrating 8+ open-source LLMs with 20+ materials science API endpoints for autonomous multi-step workflows. arXiv preprint
November 2025
APS Fellowship
Dr. Choudhary elected Fellow of the American Physical Society in the Topical Group of Data Science.
September 2025
Media Coverage
ChatGPT Material Explorer featured in Johns Hopkins Hub, Technology Networks, and Phys.org.
July 2025
New Faculty Position
Dr. Choudhary joined Johns Hopkins University as Assistant Professor with joint appointments in MSE, ECE, and DSAI.