[7p-S202-1~12] 23.1 Joint Session N "Informatics"

1:00 PM - 1:15 PM JST(4:00 AM - 4:15 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[7p-S202-1] Autonomous synthesis of polycrystalline TiO₂ thin films with desired crystal structure

〇Sota Hasebe¹, Kazunori Nishio⁵, Akira Aiba², Yota Suzuki³, Ryo Nakayama¹, Tomohito Sudare¹, Shigeru Kobayashi¹, Ryota Shimizu⁴, Taro Hitosugi^1,5 (1.Univ. Tokyo, 2.Rigaku Corp, 3.CFC, 4.IMS, 5.Science Tokyo)

Keywords:

Autonomous experiment,Bayesian optimization,X-ray diffraction

The autonomous synthesis of polycrystalline TiO2 thin films with desired crystal structures was demonstrated by leveraging machine learning and robotics. An evaluation metric, defined as the correlation coefficient between the X-ray diffraction (XRD) pattern of the as-grown thin film and that of a powder reference from a database, was established. With this metric as the objective variable, Bayesian optimization efficiently explored the synthesis conditions, namely substrate temperature, leading to the selective formation of the rutile and anatase phases.