Gabe Gomes: Autonomous chemical research with large language models
Thursday, 20 February 2025 -
12:00
Monday, 17 February 2025
Tuesday, 18 February 2025
Wednesday, 19 February 2025
Thursday, 20 February 2025
12:00
Talk
Talk
12:00 - 13:00
Transformer-based large language models are making significant strides in various fields, such as natural language processing, biology, chemistry, and computer programming. Here, we show the development and capabilities of Coscientist, an artificial intelligence system that autonomously designs, plans, and performs complex experiments by incorporating large language models empowered by tools such as internet and documentation search, code execution, and experimental automation. Coscientist showcases its potential for accelerating research across six diverse tasks, including the successful reaction optimization of palladium-catalyzed cross-couplings, while exhibiting advanced capabilities for (semi-)autonomous experimental design and execution. Our findings demonstrate the versatility, efficacy, and explainability of artificial intelligence systems like Coscientist in advancing research. Lastly, I will show how we are developing systems for autonomous catalytic reaction optimization.