Molecular dynamics simulation of swollen membrane of perfluorinated ionomer S Urata, J Irisawa, A Takada, W Shinoda, S Tsuzuki, M Mikami
The Journal of Physical Chemistry B 109 (9), 4269-4278, 2005
244 2005 Origin of the mixed alkali effect in silicate glass Y Onodera, Y Takimoto, H Hijiya, T Taniguchi, S Urata, S Inaba, S Fujita, ...
NPG Asia Materials 11 (1), 75, 2019
95 2019 Rate constants estimation for the reaction of hydrofluorocarbons and hydrofluoroethers with OH radicals S Urata, A Takada, T Uchimaru, AK Chandra
Chemical physics letters 368 (1-2), 215-223, 2003
86 2003 Prediction of vapor–liquid equilibrium for binary systems containing HFEs by using artificial neural network S Urata, A Takada, J Murata, T Hiaki, A Sekiya
Fluid Phase Equilibria 199 (1-2), 63-78, 2002
71 2002 Molecular dynamics study of the methanol effect on the membrane morphology of perfluorosulfonic ionomers S Urata, J Irisawa, A Takada, W Shinoda, S Tsuzuki, M Mikami
The Journal of Physical Chemistry B 109 (36), 17274-17280, 2005
58 2005 Structural origins of the mixed alkali effect in alkali aluminosilicate glasses: molecular dynamics study and its assessment F Lodesani, MC Menziani, H Hijiya, Y Takato, S Urata, A Pedone
Scientific reports 10 (1), 2906, 2020
57 2020 Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of S Tsuzuki, T Uchimaru, M Mikami, S Urata
The Journal of chemical physics 116 (8), 3309-3315, 2002
57 2002 An atomistic-to-continuum molecular dynamics: Theory, algorithm, and applications S Li, S Urata
Computer Methods in Applied Mechanics and Engineering 306, 452-478, 2016
47 2016 Exploring the effect of pendent side chain length on the structural and mechanical properties of hydrated perfluorosulfonic acid polymer membranes by molecular dynamics simulation AT Kuo, K Takeuchi, A Tanaka, S Urata, S Okazaki, W Shinoda
Polymer 146, 53-62, 2018
39 2018 Reaction mechanisms and interfacial behaviors of sodium silicate glass in an aqueous environment from reactive force field-based molecular dynamics simulations L Deng, K Miyatani, S Amma, M Suehara, M Ono, Y Yamamoto, S Urata, ...
The Journal of Physical Chemistry C 123 (35), 21538-21547, 2019
38 2019 Hydrogen permeation in hydrated perfluorosulfonic acid polymer membranes: effect of polymer crystallinity and equivalent weight K Takeuchi, AT Kuo, T Hirai, T Miyajima, S Urata, S Terazono, S Okazaki, ...
The Journal of Physical Chemistry C 123 (33), 20628-20638, 2019
38 2019 Intermolecular interaction between the pendant chain of perfluorinated ionomer and water S Urata, J Irisawa, A Takada, S Tsuzuki, W Shinoda, M Mikami
Physical Chemistry Chemical Physics 6 (13), 3325-3332, 2004
38 2004 A multiscale shear-transformation-zone (STZ) model and simulation of plasticity in amorphous solids S Urata, S Li
Acta Materialia 155, 153-165, 2018
37 2018 Structural features of sodium silicate glasses from reactive force field‐based molecular dynamics simulations L Deng, S Urata, Y Takimoto, T Miyajima, SH Hahn, ACT van Duin, J Du
Journal of the American Ceramic Society 103 (3), 1600-1614, 2020
35 2020 Ab Initio Calculations of Intermolecular Interaction of CHF3 Dimer: Origin of Attraction and Magnitude of CH/F Interaction S Tsuzuki, T Uchimaru, M Mikami, S Urata
The Journal of Physical Chemistry A 107 (39), 7962-7968, 2003
33 2003 Coupling finite element method with large scale atomic/molecular massively parallel simulator (LAMMPS) for hierarchical multiscale simulations: Modeling and simulation of … T Murashima, S Urata, S Li
The European Physical Journal B 92, 1-8, 2019
32 2019 Artificial neural network study for the estimation of the C–H bond dissociation enthalpies S Urata, A Takada, T Uchimaru, AK Chandra, A Sekiya
Journal of fluorine chemistry 116 (2), 163-171, 2002
32 2002 Single-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles AR Tan, S Urata, S Goldman, JCB Dietschreit, R Gómez-Bombarelli
npj Computational Materials 9 (1), 225, 2023
31 2023 Molecular dynamics study on nano‐particles reinforced oxide glass S Urata, R Ando, M Ono, Y Hayashi
Journal of the American Ceramic Society 101 (6), 2266-2276, 2018
31 2018 How fluorine minimizes density fluctuations of silica glass: Molecular dynamics study with machine-learning assisted force-matching potential S Urata, N Nakamura, K Aiba, T Tada, H Hosono
Materials & Design 197, 109210, 2021
28 2021 
An-Tsung KuoAGC Inc.Dirección de correo verificada de agc.com