Quantification of the Properties of Organic Molecules Using Core-Loss Spectra as Neural Network Descriptors. - Kakeru Kikumasa; Shin Kiyohara; Kiyou Shibata; Teruyasu Mizoguchi (Adv. Intell. Syst., 2022)

A brute-force code searching for cell of non-identical displacement for CSL grain boundaries and interfaces. - Yaoshu Xie; Kiyou Shibata; Teruyasu Mizoguchi (Comput. Phys. Commun., 2022)

Generative Inverse Design of Crystal Structures via Diffusion Models with Transformers. - Izumi Takahara; Kiyou Shibata; Teruyasu Mizoguchi (CoRR, 2024)