Shin Kiyohara

Tohoku University — Japan

Materials Science · Physical Sciences

15h-index611citations55works3.82yr avg
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Research Topics

Machine Learning in Materials Science(24), Electronic and Structural Properties of Oxides(12), X-ray Diffraction in Crystallography(8), Microstructure and mechanical properties(5), Electron and X-Ray Spectroscopy Techniques(5)

Publications55 total

Charting the Landscape of Oxygen Ion Conductors: A 60-Year Dataset with Interpretable Regression Models
ArXiv.org·2026Open Access
Charting the Landscape of Oxygen Ion Conductors: A 60-Year Dataset with Interpretable Regression Models
arXiv (Cornell University)·2026Open Access
Cathode properties of MgV <sub>2</sub> O <sub>4</sub> spinel for magnesium rechargeable batteries: effect of synthesis route on structure and electrochemical performance
Journal of Materials Chemistry A·2026Open Access
Machine-Learning Prediction of Charged-Defect Formation Energies from Crystal Structures
Physical Review Letters·2025Open Access
Machine Learning Prediction of Charged Defect Formation Energies from Crystal Structures
ArXiv.org·2025Open Access
Significant Enhancement of the Basicity of SrTiO<sub>3</sub> Nanoparticles by Alkali Metal Doping: Implication for the Knoevenagel Condensation
ACS Applied Nano Materials·2025· 1 citedOpen Access
Oxygen Defect Engineering of Hexagonal Perovskite Oxides to Boost Catalytic Performance for Aerobic Oxidation of Sulfides to Sulfones (Adv. Funct. Mater. 29/2025)
Advanced Functional Materials·2025Open Access
Bayesian Optimization with Gaussian Processes Assisted by Deep Learning for Material Designs
The Journal of Physical Chemistry Letters·2025· 3 citedOpen Access
Oxygen Defect Engineering of Hexagonal Perovskite Oxides to Boost Catalytic Performance for Aerobic Oxidation of Sulfides to Sulfones
Advanced Functional Materials·2025· 6 citedOpen Access
Point Defects Analysis and Surface Property Prediction by Machine Learning
Materia Japan·2025
Universal Polaronic Behavior in Elemental Doping of MoS<sub>2</sub> from First-Principles
ACS Nano·2024· 14 citedOpen Access
First-principles calculations on dislocations in MgO
Science and Technology of Advanced Materials·2024· 2 citedOpen Access
Target Material Property‐Dependent Cluster Analysis of Inorganic Compounds
Advanced Intelligent Systems·2024· 2 citedOpen Access
Copper Phosphate Nanostructures as Catalysts for the Direct Methane Oxidation
ACS Applied Nano Materials·2024· 16 citedOpen Access
Band Alignment of Oxides by Learnable Structural-Descriptor-Aided Neural Network and Transfer Learning
Journal of the American Chemical Society·2024· 16 citedOpen Access
First-Principles Calculations on Dislocations in Mgo
SSRN Electronic Journal·2024Open Access
Nanosized Ti-Based Perovskite Oxides as Acid–Base Bifunctional Catalysts for Cyanosilylation of Carbonyl Compounds
ACS Applied Materials & Interfaces·2023· 15 citedOpen Access
Unique Atomic and Electronic Structures of Oxygen Vacancies in Amorphous SnO<sub>2</sub>from First Principles and Informatics
The Journal of Physical Chemistry C·2022· 9 cited
Simulated carbon K edge spectral database of organic molecules
Scientific Data·2022· 15 citedOpen Access
Smoothed C-K edge site spectra in hdf5 format
Figshare·2022Open Access
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Frequent Co-authors

Teruyasu Mizoguchi(30), Yu Kumagai(12), Kiyou Shibata(10), Kakeru Kikumasa(9), Hiromi Oda(6), Takeshi Aihara(5), Keigo Kamata(5), Masashi Tsubaki(4), Koji Tsuda(3), Fumiyasu Oba(3), Masahiko Hara(3), Soungmin Bae(3), Tomohiro Miyata(2), Wataru Aoki(2), Keiju Wachi(2), Masashi Makizawa(2), Ryuken Otani(2), Tomohito Tsuru(2), Seong‐Hoon Jang(2), Hitoshi Takamura(2)