Integrating large language models with domain-specific tools can streamline computational materials science workflows by enhancing efficiency and accuracy. Here, the authors present MatSciAgent, a multi-agent framework that automates tasks like data retrieval and simulations, demonstrating high stability and adaptability, thus promising significant advancements in materials research and development.
- Akshat Chaudhari
- Janghoon Ock
- Amir Barati Farimani
