集成化学合成、表征与测试全流程的机器化学家

AI-chemist for chemistry synthesis,property characterization,and performance testing

近年来,数据驱动的智能化学研究不断取得进展.本文报道了一套集成化学合成、样品表征与性能测试的机器化学家平台,在实现合成、表征和测试全流程自动化控制的同时,采集各个步骤的实验数据,形成数据云平台,主动对实验方案进行迭代优化.论文详细阐释了整体架构、软硬件设计和操作逻辑,展示了科研人员与该平台的交互过程,并对机器化学家的未来发展作出了展望.

Recent years witness rapid progress made in artificial intelligent(AI),data-driven chemistry research.An automated experimental platform with functions of synthesis,characterization and testing could transform a synthesis plan into characterization and testing data of real products,which can then be used to re-optimize synthesis,thus close the loop of materials design.Herein,we reported the design,framework and hardware/software systems of a robotic AI-chemist platform that integrates chemical synthesis,sample characterization and performance testing functions.The robotic AI-chemist was instructed to carry out photocatalysis experiments,which demonstrates its utility to replace a human chemist in real experimental operations.