Search Results - "YOSHIKAWA, Takeshi" :: K.UTB vyhledávací portál

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Development of an excited-state calculation method for large systems using dynamical polarizability: A divide-and-conquer approach at the time-dependent density functional level

by Nakai, Hiromi, Yoshikawa, Takeshi
Published in The Journal of chemical physics (28.03.2017)

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Large-scale excited-state calculation using dynamical polarizability evaluated by divide-and-conquer based coupled cluster linear response method

by Yoshikawa, Takeshi, Yoshihara, Jyunya, Nakai, Hiromi
Published in The Journal of chemical physics (14.01.2020)

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Machine-learned electron correlation model based on correlation energy density at complete basis set limit

by Nudejima, Takuro, Ikabata, Yasuhiro, Seino, Junji, Yoshikawa, Takeshi, Nakai, Hiromi
Published in The Journal of chemical physics (14.07.2019)

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Refining of silicon during its solidification from a Si–Al melt

by Yoshikawa, Takeshi, Morita, Kazuki
Published in Journal of crystal growth (15.01.2009)

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Large-Scale Molecular Dynamics Simulation for Ground and Excited States Based on Divide-and-Conquer Long-Range Corrected Density-Functional Tight-Binding Method

by Komoto, Nana, Yoshikawa, Takeshi, Nishimura, Yoshifumi, Nakai, Hiromi
Published in Journal of chemical theory and computation (14.04.2020)

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GPU‐Accelerated Large‐Scale Excited‐State Simulation Based on Divide‐and‐Conquer Time‐Dependent Density‐Functional Tight‐Binding

by Yoshikawa, Takeshi, Komoto, Nana, Nishimura, Yoshifumi, Nakai, Hiromi
Published in Journal of computational chemistry (05.12.2019)

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Availability of Cr-rich Cr-Si solvent for rapid solution growth of 4H-SiC

by Kawanishi, Sakiko, Nagamatsu, Yoichiro, Yoshikawa, Takeshi, Shibata, Hiroyuki
Published in Journal of crystal growth (01.11.2020)

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Trajectory Surface Hopping Approach to Condensed-Phase Nonradiative Relaxation Dynamics Using Divide-and-Conquer Spin-Flip Time-Dependent Density-Functional Tight Binding

by Uratani, Hiroki, Yoshikawa, Takeshi, Nakai, Hiromi
Published in Journal of chemical theory and computation (09.03.2021)

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Density, surface tension, and viscosity of liquid Si–Cr alloys and influence on temperature and fluid flow during solution growth of SiC

by Daikoku, Hironori, Kawanishi, Sakiko, Ishikawa, Takehiko, Yoshikawa, Takeshi
Published in The Journal of chemical thermodynamics (01.09.2021)

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Suppressing solvent compositional change during solution growth of SiC using SiC/C gradient crucible

by Kawanishi, Sakiko, Daikoku, Hironori, Shibata, Hiroyuki, Yoshikawa, Takeshi
Published in Journal of crystal growth (15.12.2021)

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A sessile drop approach for studying 4H-SiC/liquid silicon high-temperature interface reconstructions

by Xing, Xinming, Yoshikawa, Takeshi, Budenkova, Olga, Chaussende, Didier
Published in Journal of materials science (01.01.2022)

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Structure-Directing Behaviors of Tetraethylammonium Cations toward Zeolite Beta Revealed by the Evolution of Aluminosilicate Species Formed during the Crystallization Process

by Ikuno, Takaaki, Chaikittisilp, Watcharop, Liu, Zhendong, Iida, Takayuki, Yanaba, Yutaka, Yoshikawa, Takeshi, Kohara, Shinji, Wakihara, Toru, Okubo, Tatsuya
Published in Journal of the American Chemical Society (18.11.2015)

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An Evolving Method for Solar-Grade Silicon Production: Solvent Refining

by Yoshikawa, Takeshi, Morita, Kazuki
Published in JOM (1989) (01.08.2012)

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Fractional-occupation-number based divide-and-conquer coupled-cluster theory

by Yoshikawa, Takeshi, Nakai, Hiromi
Published in Chemical physics letters (16.11.2018)

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Measurement and Thermodynamics of Carbon Solubilities in Molten Si–Fe, Si–Ni, and Si–Cr–Fe Alloys at 2073 K

by Kawanishi, Sakiko, Yoshikawa, Takeshi
Published in ISIJ International (15.10.2020)

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Measurement of Interaction Parameter between Titanium and Silicon in Molten Iron Using its Double Saturation with Ti3O5 and Ti2O3 Phases

by Yoshikawa, Takeshi
Published in Tetsu-to-Hagane (01.03.2019)

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Effect of Wettability on Droplet Agglomeration in Two Immiscible Liquids

by Lim, Sunglock, Hatakeyama, Ikuru, Nakamoto, Masashi, Yoshikawa, Takeshi, Tanaka, Toshihiro
Published in ISIJ International (15.06.2024)

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Linear-scaling self-consistent field calculations based on divide-and-conquer method using resolution-of-identity approximation on graphical processing units

by Yoshikawa, Takeshi, Nakai, Hiromi
Published in Journal of computational chemistry (30.01.2015)

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Contribution of Dislocations in SiC Seed Crystals on the Melt-Back Process in SiC Solution Growth

by Kawanishi, Sakiko, Shibata, Hiroyuki, Yoshikawa, Takeshi
Published in Materials (27.02.2022)

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Spin‐flip approach within time‐dependent density functional tight‐binding method: Theory and applications

by Inamori, Mayu, Yoshikawa, Takeshi, Ikabata, Yasuhiro, Nishimura, Yoshifumi, Nakai, Hiromi
Published in Journal of computational chemistry (15.06.2020)

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