Thermal Conductivity of Liquid Water from Reverse Nonequilibrium Ab Initio Molecular Dynamics von Tsuchida, Eiji

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An Efficient Time-Stepping Scheme for Ab Initio Molecular Dynamics Simulations von Tsuchida, Eiji

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Ab initio mass tensor molecular dynamics von Tsuchida, Eiji

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Revisiting the minimum image locus method for calculating the radial distribution functions von Tsuchida, Eiji

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Insights from ab initio molecular dynamics simulations for a multicomponent oxide glass von Ohkubo, Takahiro, Tsuchida, Eiji, Deguchi, Kenzo, Ohki, Shinobu, Shimizu, Tadashi, Otomo, Toshiya, Iwadate, Yasuhiko

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Ab Initio Molecular Dynamics Simulations and GIPAW NMR Calculations of a Lithium Borate Glass Melt von Ohkubo, Takahiro, Tsuchida, Eiji, Takahashi, Takafumi, Iwadate, Yasuhiko

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Ab initio molecular-dynamics study of liquid formamide von Tsuchida, Eiji

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An adaptive finite-element method for large-scale ab initio molecular dynamics simulations von Tsuchida, Eiji, Choe, Yoong-Kee, Ohkubo, Takahiro

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Effect of Elevated Temperatures on the States of Water and Their Correlation with the Proton Conductivity of Nafion von Barique, Mohammad A, Tsuchida, Eiji, Ohira, Akihiro, Tashiro, Kohji

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First-principles molecular dynamics simulation study on Ti4+ ion in aqueous sulfuric acid von Choe, Yoong-Kee, Tsuchida, Eiji, Tokuda, Kazuya, Otsuka, Jun, Saito, Yoshihiro, Masuno, Atsunobu, Inoue, Hiroyuki

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Thermal Conductivity of Liquid Water from Reverse Nonequilibrium Ab Initio Molecular Dynamics von Tsuchida, Eiji

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Ab initio studies on the proton dissociation and infrared spectra of sulfonated poly(ether ether ketone) (SPEEK) membranes von Zhao, Yuan-yuan, Tsuchida, Eiji, Choe, Yoong-Kee, Ikeshoji, Tamio, Barique, Mohammad Abdul, Ohira, Akihiro

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Iterative diagonalization of symmetric matrices in mixed precision and its application to electronic structure calculations von Tsuchida, Eiji, Choe, Yoong-Kee

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Computational modeling study on polymer electrolyte membranes for fuel cell applications von Choe, Yoong-Kee, Tsuchida, Eiji

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Diffuse and doubly split atom occupation in hexagonal LiBH4 von Ikeshoji, Tamio, Tsuchida, Eiji, Ikeda, Kazutaka, Matsuo, Motoaki, Li, Hai-Wen, Kawazoe, Yoshiyuki, Orimo, Shin-ichi

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An Efficient Time-Stepping Scheme for Ab Initio Molecular Dynamics Simulations von Tsuchida, Eiji

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Theoretical Insights into the 27Al NMR Parameters of Binary Aluminosilicate Glass and Their Relationship to the Atomic and Electronic Structure von Ohkubo, Takahiro, Masuno, Atsunobu, Tsuchida, Eiji, Ohki, Shinobu

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Ab Initio Molecular Dynamics Study of Trivalent Rare Earth Rich Borate Glasses: Structural Insights and Formation Mechanisms von Ohkubo, Takahiro, Sasaki, Shunta, Masuno, Atsunobu, Tsuchida, Eiji

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Theoretical Insights into the 27 Al NMR Parameters of Binary Aluminosilicate Glass and Their Relationship to the Atomic and Electronic Structure von Ohkubo, Takahiro, Masuno, Atsunobu, Tsuchida, Eiji, Ohki, Shinobu

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Production of 2 μm-thick 6.5 % Si-Fe cold rolled sheet von Uemura, Takuya, Tanase, Junpei, Fujisaki, Keisuke, Ishiyama, Kazushi, Tsuchida, Eiji

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