ChatMat: a multi-agent chemist for autonomous material prediction and exploration
Abstract
ChatMat is an autonomous multiagent framework integrating LLMs with DFT and ML-PES to accelerate material property prediction and exploration. By coordinating specialized agents, it executes complex workflows with minimal human intervention.
Fields of Study & Subjects
Machine Learning in Materials Science
Artificial Intelligence in Healthcare and Education
Computational Drug Discovery Methods
Publication details
- Journal / source
- Digital Discovery
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 5
- Issue
- 7
- Pages
- 2886–2898
- Publication date
- 1 January 2026
- Language
- EN