| 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 | 243 | 2005 |
| 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 |
| 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 | 80 | 2019 |
| 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 | 68 | 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 | 59 | 2005 |
| Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of and dimers S Tsuzuki, T Uchimaru, M Mikami, S Urata The Journal of chemical physics 116 (8), 3309-3315, 2002 | 58 | 2002 |
| 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 | 47 | 2020 |
| 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 | 44 | 2016 |
| 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 | 40 | 2004 |
| 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 | 34 | 2018 |
| A multiscale shear-transformation-zone (STZ) model and simulation of plasticity in amorphous solids S Urata, S Li Acta Materialia 155, 153-165, 2018 | 33 | 2018 |
| 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 | 32 | 2003 |
| 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 | 31 | 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 | 31 | 2002 |
| 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 | 30 | 2020 |
| 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 | 30 | 2019 |
| 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 | 28 | 2019 |
| 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 | 28 | 2018 |
| Magnitude and orientation dependence of intermolecular interaction of perfluoropropane dimer studied by high-level ab initio calculations: Comparison with … S Tsuzuki, T Uchimaru, M Mikami, S Urata The Journal of chemical physics 121 (20), 9917-9924, 2004 | 28 | 2004 |
| Critical parameters and vapor pressure measurements of hydrofluoroethers at high temperatures M Yasumoto, Y Yamada, J Murata, S Urata, K Otake Journal of Chemical & Engineering Data 48 (6), 1368-1379, 2003 | 28 | 2003 |
An-Tsung KuoAGC Inc.Verified email at agc.com
