MatChat: A large language model and application service platform for materials science

• Published in: Chinese physics B Vol. 32; no. 11; pp. 118104 - 199
• Main Authors: Chen, Zi-Yi, Xie, Fan-Kai, Wan, Meng, Yuan, Yang, Liu, Miao, Wang, Zong-Guo, Meng, Sheng, Wang, Yan-Gang
• Format: Journal Article
• Language: English
• Published: Chinese Physical Society and IOP Publishing Ltd 01.11.2023
• Subjects: generative artificial intelligence; MatChat; materials science; MatChat; materials science; generative artificial intelligence
• ISSN: 1674-1056; 2058-3834; 2058-3834
• DOI: 10.1088/1674-1056/ad04cb

The prediction of chemical synthesis pathways plays a pivotal role in materials science research. Challenges, such as the complexity of synthesis pathways and the lack of comprehensive datasets, currently hinder our ability to predict these chemical processes accurately. However, recent advancements in generative artificial intelligence (GAI), including automated text generation and question–answering systems, coupled with fine-tuning techniques, have facilitated the deployment of large-scale AI models tailored to specific domains. In this study, we harness the power of the LLaMA2-7B model and enhance it through a learning process that incorporates 13878 pieces of structured material knowledge data. This specialized AI model, named MatChat, focuses on predicting inorganic material synthesis pathways. MatChat exhibits remarkable proficiency in generating and reasoning with knowledge in materials science. Although MatChat requires further refinement to meet the diverse material design needs, this research undeniably highlights its impressive reasoning capabilities and innovative potential in materials science. MatChat is now accessible online and open for use, with both the model and its application framework available as open source. This study establishes a robust foundation for collaborative innovation in the integration of generative AI in materials science.