I aim to realize a methodology for accelerating
materials discoveries on the basis of a combination of machine learning, data
science and computational chemistry.
Selected Publications
Machine learning-aided structure Determination for TiCl4–capped MgCl2 nanoplate of heterogeneous Ziegler–Natta catalyst. G. Takasao, T. Wada, A. Thakur, P. Chammingkwan, M. Terano, and T. Taniike. ACS Catalysis, 9, 3, 2599–2609, (2019).
Insight into structural distribution of heterogeneous Ziegler–Natta catalyst from non-empirical structure determination. G. Takasao, T. Wada, A. Thakur, P. Chammingkwan, M. Terano, and T. Taniike. Journal of Catalysis, 394, 299-306, (2021).
Preventing premature convergence in evolutionary structure determination of complex molecular systems: demonstration in few-nanometer-sized TiCl4-capped MgCl2 nanoplates. G. Takasao, T. Wada, H. Chikuma, P. Chammingkwan, M. Terano, and T. Taniike. Journal of Physical Chemistry A, 126, 5215–5221 (2022).
Education
Ph.D., Materials Science, Japan Advanced Institute of Science and Technology (JAIST), Nomi, Japan, 2022
M. Sc., Materials Science, JAIST, Nomi, Japan, 2019
B. Sc., Engineering, National Institute of Technology, Fukui College, Japan, 2017
Professional Profile
2022-Present: Postdoctoral fellow, KAUST, Thuwal, Saudi Arabia
2022: Researcher, Japan Advanced Institute of Science and Technology, Nomi, Japan
2020-2022: Research Fellowship for Young Scientists Doctoral Course Students (DC2), Japan Society for the Promotion of Science, Japan
KAUST Affiliations
KAUST Catalysis Center (KCC)
Division of Physical Science and Engineering (PSE)
