Po-Yen Chen, Kiyou Shibata, Katsumi Hagita, Tomohiro Miyata, Teruyasu Mizoguchi. Predicting ELNES/XANES spectra by machine learning with an atomic coordinate-independent descriptor and its application to ground-state electronic structures. Micron. 2024. 187. 103723-103723
Naoto Kawaguchi, Kiyou Shibata, Teruyasu Mizoguchi. Band structure database of layered intercalation compounds with various intercalant atoms and layered hosts. Scientific Data. 2024
Izumi Takahara, Fumihiko Uesugi, Koji Kimoto, Kiyou Shibata, Teruyasu Mizoguchi. Toward the Atomic-Level Analysis of Ground-State Electronic Structures of Solid Materials via Prediction from Core-Loss Spectra: A Computational Study in Si. The Journal of Physical Chemistry C. 2024
Izumi Takahara, Kiyou Shibata, Teruyasu Mizoguchi. Crystal orbital overlap population based on all-electron ab initio simulation with numeric atom-centered orbitals and its application to chemical-bonding analysis in Li-intercalated layered materials. Modelling and Simulation in Materials Science and Engineering. 2024
Naoto Kawaguchi, Kiyou Shibata, Teruyasu Mizoguchi. Unraveling the Stability of Layered Intercalation Compounds through First-Principles Calculations: Establishing a Linear Free Energy Relationship with Aqueous Ions. ACS Physical Chemistry Au. 2024
Kakeru Kikumasa, Shin Kiyohara, Kiyou Shibata, Teruyasu Mizoguchi. Quantitative prediction of properties of organic molecules from ELNES via artificial neural network. Microscopy and Microanalysis. 2020
2023/09 - The 20th International Micsroscopy Congress IMC20 Best Poster Presentation Award Database construction and machine learning prediction of site specific carbon K edge core-loss spectra