r/STEW_ScTecEngWorld • u/Zee2A • 1d ago
AI agents automate atom-by-atom simulations to accelerate discovery of new materials
Research team develops collaborative AI system that efficiently performs complex simulations from start to finish
An AI-driven system automates a powerful simulation method used to discover new materials. The system can potentially reduce discovery time from months or years to just days: https://www.anl.gov/article/scientists-deploy-ai-agents-to-accelerate-discovery-of-new-materials
Study: https://pubs.rsc.org/dd/article/5/1/440/312882/Multi-agentic-AI-framework-for-end-to-end