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Shingo Urata

Molecular Dynamics Simulation of Swollen Membrane of Perfluorinated Ionomer
2005 · Shingo Urata, Jun Irisawa, et al. · The Journal of Physical Chemistry B · 208
Origin of the mixed alkali effect in silicate glass
2019 · Yohei Onodera, Yasuyuki Takimoto, et al. · NPG Asia Materials · 140
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Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles
2023 · Aik Rui Tan, Shingo Urata, et al. · npj Computational Materials · 118
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Structural origins of the Mixed Alkali Effect in Alkali Aluminosilicate Glasses: Molecular Dynamics Study and its Assessment
2020 · Federica Lodesani, Maria Cristina Menziani, et al. · Scientific Reports · 90
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Rate constants estimation for the reaction of hydrofluorocarbons and hydrofluoroethers with OH radicals
2003 · Shingo Urata, Akira Takada, et al. · Chemical Physics Letters · 75
Ion-exchange mechanisms and interfacial reaction kinetics during aqueous corrosion of sodium silicate glasses
2021 · Lu Deng, Katsuaki Miyatani, et al. · npj Materials Degradation · 65
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New Atomistic Insights on the Chemical Mechanical Polishing of Silica Glass with Ceria Nanoparticles
2023 · Luca Brugnoli, Katsuaki Miyatani, et al. · Langmuir · 54
Prediction of vapor–liquid equilibrium for binary systems containing HFEs by using artificial neural network
2002 · Shingo Urata, Akira Takada, et al. · Fluid Phase Equilibria · 54
Exploring the effect of pendent side chain length on the structural and mechanical properties of hydrated perfluorosulfonic acid polymer membranes by molecular dynamics simulation
2018 · An-Tsung Kuo, Kotono Takeuchi, et al. · Polymer · 51
Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of CF4 and C2F6 dimers
2002 · Seiji Tsuzuki, Tadafumi Uchimaru, et al. · The Journal of Chemical Physics · 51
Hydrogen Permeation in Hydrated Perfluorosulfonic Acid Polymer Membranes: Effect of Polymer Crystallinity and Equivalent Weight
2019 · Kotono Takeuchi, An-Tsung Kuo, et al. · The Journal of Physical Chemistry C · 49
An atomistic-to-continuum molecular dynamics: Theory, algorithm, and applications
2016 · Shaofan Li, Shingo Urata · Computer Methods in Applied Mechanics and Engineering · 47
Molecular Dynamics Study of the Methanol Effect on the Membrane Morphology of Perfluorosulfonic Ionomers
2005 · Shingo Urata, Jun Irisawa, et al. · The Journal of Physical Chemistry B · 46
Reaction Mechanisms and Interfacial Behaviors of Sodium Silicate Glass in an Aqueous Environment from Reactive Force Field-Based Molecular Dynamics Simulations
2019 · Lu Deng, Katsuaki Miyatani, et al. · The Journal of Physical Chemistry C · 44
A multiscale shear-transformation-zone (STZ) model and simulation of plasticity in amorphous solids
2018 · Shingo Urata, Shaofan Li · Acta Materialia · 44
Applications of machine‐learning interatomic potentials for modeling ceramics, glass, and electrolytes: A review
2024 · Shingo Urata, Marco Bertani, et al. · Journal of the American Ceramic Society · 42
Impact of Atomic Defects on Ceria Surfaces on Chemical Mechanical Polishing of Silica Glass Surfaces
2024 · Mirko Di Biase, Luca Brugnoli, et al. · Langmuir · 40
Coarse-Grained Molecular Dynamics Simulation of Perfluorosulfonic Acid Polymer in Water–Ethanol Mixtures
2021 · An-Tsung Kuo, Shingo Urata, et al. · Macromolecules · 40
Structural features of sodium silicate glasses from reactive force field‐based molecular dynamics simulations
2019 · Lu Deng, Shingo Urata, et al. · Journal of the American Ceramic Society · 40
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Molecular dynamics study on nano‐particles reinforced oxide glass
2017 · Shingo Urata, Ryota Ando, et al. · Journal of the American Ceramic Society · 40
Coupling finite element method with large scale atomic/molecular massively parallel simulator (LAMMPS) for hierarchical multiscale simulations: Modeling and simulation of amorphous polymeric materials
2019 · Takahiro Murashima, Shingo Urata, et al. · The European Physical Journal B · 39
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Machine learning molecular dynamics reveals the structural origin of the first sharp diffraction peak in high-density silica glasses
2023 · Keita Kobayashi, Masahiko Okumura, et al. · Scientific Reports · 36
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Modeling the Structure and Dynamics of Lithium Borosilicate Glasses with Ab Initio Molecular Dynamics Simulations
2021 · Takahiro Ohkubo, Shingo Urata, et al. · The Journal of Physical Chemistry C · 36
Elucidating the Feature of Intermediate Water in Hydrated Poly(ω-methoxyalkyl acrylate)s by Molecular Dynamics Simulation and Differential Scanning Calorimetry Measurement
2020 · An-Tsung Kuo, Toshiki Sonoda, et al. · ACS Biomaterials Science & Engineering · 36
Exploration of n-type oxides by high throughput screening
2003 · R. Funahashi, S. Urata, et al. · Applied Surface Science · 35
Works count: 138
Citation count: 2,802
H-index: 30
I10-index: 82
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