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An efficient computational procedure to obtain a more stable glass structure

The Journal of chemical physics, 2019-12, Vol.151 (22), p.224502-224502

Urata, Shingo

2019

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A multiscale shear-transformation-zone (STZ) model and simulation of plasticity in amorphous solids

Acta materialia, 2018-08, Vol.155, p.153-165

2018

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A study on the plasticity of soda-lime silica glass via molecular dynamics simulations

The Journal of chemical physics, 2017-11, Vol.147 (17), p.174501-174501

2017

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Role of hydrogen-doping for compensating oxygen-defect in non-stoichiometric amorphous In2O3−x: Modeling with a machine-learning potential

Journal of applied physics, 2023-09, Vol.134 (11)

2023

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Molecular dynamics study on the co‐doping effect of Al2O3 and fluorine to reduce Rayleigh scattering of silica glass

Journal of the American Ceramic Society, 2021-10, Vol.104 (10), p.5001-5015

2021

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Biasing crystallization in fused silica: An assessment of optimal metadynamics parameters

The Journal of chemical physics, 2022-05, Vol.156 (19), p.194501-194501

2022

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Atomistic mechanism of structural and volume relaxation below glass transition temperature in a soda-lime silicate glass revealed by Raman spectroscopy and its DFT calculations

The Journal of chemical physics, 2024-01, Vol.160 (3)

2024

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Self-assembly of the cationic surfactant n -hexadecyl-trimethylammonium chloride in methyltrimethoxysilane aqueous solution: classical and reactive molecular dynamics simulations

Physical chemistry chemical physics : PCCP, 2021-07, Vol.23 (26), p.14486-14495

2021

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Molecular dynamics study on nano‐particles reinforced oxide glass

Journal of the American Ceramic Society, 2018-06, Vol.101 (6), p.2266-2276

2018

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An atomistic-to-continuum molecular dynamics: Theory, algorithm, and applications

Computer methods in applied mechanics and engineering, 2016-07, Vol.306, p.452-478

2016

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Molecular dynamics investigation of the fracture mechanism of a glass‐ceramic containing cleavable crystals

Journal of the American Ceramic Society, 2019-09, Vol.102 (9), p.5138-5148

2019

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Structural origins of the Mixed Alkali Effect in Alkali Aluminosilicate Glasses: Molecular Dynamics Study and its Assessment

Scientific reports, 2020-02, Vol.10 (1), p.2906-2906, Article 2906

2020

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Development and Application of a ReaxFF Reactive Force Field for Cerium Oxide/Water Interfaces

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-07, Vol.125 (25), p.5693-5708

2021

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How fluorine minimizes density fluctuations of silica glass: Molecular dynamics study with machine-learning assisted force-matching potential

Materials & design, 2021-01, Vol.197, p.109210, Article 109210

2021

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3D microstructure and crack pathways of toughened CaO–Al2O3–SiO2 glass by precipitation of hexagonal CaAl2Si2O8 crystal

Journal of the American Ceramic Society, 2019-09, Vol.102 (9), p.5535-5544

2019

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Higher order Cauchy–Born rule based multiscale cohesive zone model and prediction of fracture toughness of silicon thin films

International journal of fracture, 2017-01, Vol.203 (1-2), p.159-181

2017

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Tuning the mechanical toughness of the metal nanoparticle‐implanted glass: The effect of nanoparticle growth conditions

Journal of the American Ceramic Society, 2021-10, Vol.104 (10), p.5341-5353

2021

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Structural origin of thermal shrinkage in soda-lime silicate glass below the glass transition temperature: A theoretical investigation by microsecond timescale molecular dynamics simulations

The Journal of chemical physics, 2021-07, Vol.155 (4), p.044501-044501

2021

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Machine learning molecular dynamics reveals the structural origin of the first sharp diffraction peak in high-density silica glasses

Scientific reports, 2023-11, Vol.13 (1), p.18721-18721, Article 18721

2023

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Modeling Short-Range and Three-Membered Ring Structures in Lithium Borosilicate Glasses Using a Machine-Learning Potential

Journal of physical chemistry. C, 2022-12, Vol.126 (50), p.21507-21517

Urata, Shingo

2022

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Theoretical estimation of dielectric loss of oxide glasses using nonequilibrium molecular dynamics simulations

Journal of the American Ceramic Society, 2022-06, Vol.105 (6), p.4200-4207

2022

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TIM-3 Is a Promising Target to Selectively Kill Acute Myeloid Leukemia Stem Cells

Cell stem cell, 2010-12, Vol.7 (6), p.708-717

2010

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Origin of Flexibility of Organic–Inorganic Aerogels: Insights from Atomistic Simulations

Journal of physical chemistry. C, 2018-09, Vol.122 (35), p.20555-20563

2018

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Dielectric property and polarization mechanism of sodium silicate glass in GHz–THz range

Japanese Journal of Applied Physics, 2022-11, Vol.61 (SN), p.SN1001

2022

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Reaction Mechanisms and Interfacial Behaviors of Sodium Silicate Glass in an Aqueous Environment from Reactive Force Field-Based Molecular Dynamics Simulations

Journal of physical chemistry. C, 2019-09, Vol.123 (35), p.21538-21547

2019

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An efficient computational procedure to obtain a more stable glass structure

A multiscale shear-transformation-zone (STZ) model and simulation of plasticity in amorphous solids

A study on the plasticity of soda-lime silica glass via molecular dynamics simulations

Role of hydrogen-doping for compensating oxygen-defect in non-stoichiometric amorphous In2O3−x: Modeling with a machine-learning potential

Molecular dynamics study on the co‐doping effect of Al2O3 and fluorine to reduce Rayleigh scattering of silica glass

Biasing crystallization in fused silica: An assessment of optimal metadynamics parameters

Atomistic mechanism of structural and volume relaxation below glass transition temperature in a soda-lime silicate glass revealed by Raman spectroscopy and its DFT calculations

Self-assembly of the cationic surfactant n -hexadecyl-trimethylammonium chloride in methyltrimethoxysilane aqueous solution: classical and reactive molecular dynamics simulations

Molecular dynamics study on nano‐particles reinforced oxide glass

An atomistic-to-continuum molecular dynamics: Theory, algorithm, and applications

Molecular dynamics investigation of the fracture mechanism of a glass‐ceramic containing cleavable crystals

Structural origins of the Mixed Alkali Effect in Alkali Aluminosilicate Glasses: Molecular Dynamics Study and its Assessment

Development and Application of a ReaxFF Reactive Force Field for Cerium Oxide/Water Interfaces

How fluorine minimizes density fluctuations of silica glass: Molecular dynamics study with machine-learning assisted force-matching potential

3D microstructure and crack pathways of toughened CaO–Al2O3–SiO2 glass by precipitation of hexagonal CaAl2Si2O8 crystal

Higher order Cauchy–Born rule based multiscale cohesive zone model and prediction of fracture toughness of silicon thin films

Tuning the mechanical toughness of the metal nanoparticle‐implanted glass: The effect of nanoparticle growth conditions

Structural origin of thermal shrinkage in soda-lime silicate glass below the glass transition temperature: A theoretical investigation by microsecond timescale molecular dynamics simulations

Machine learning molecular dynamics reveals the structural origin of the first sharp diffraction peak in high-density silica glasses

Modeling Short-Range and Three-Membered Ring Structures in Lithium Borosilicate Glasses Using a Machine-Learning Potential

Theoretical estimation of dielectric loss of oxide glasses using nonequilibrium molecular dynamics simulations

TIM-3 Is a Promising Target to Selectively Kill Acute Myeloid Leukemia Stem Cells

Origin of Flexibility of Organic–Inorganic Aerogels: Insights from Atomistic Simulations

Dielectric property and polarization mechanism of sodium silicate glass in GHz–THz range

Reaction Mechanisms and Interfacial Behaviors of Sodium Silicate Glass in an Aqueous Environment from Reactive Force Field-Based Molecular Dynamics Simulations

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