Quantum Deep Descriptor: Physically Informed Transfer Learning from Small Molecules to Polymers von Tsubaki, Masashi, Mizoguchi, Teruyasu

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A lithium superionic conductor for millimeter-thick battery electrode von Li, Yuxiang, Song, Subin, Kim, Hanseul, Nomoto, Kuniharu, Kim, Hanvin, Sun, Xueying, Hori, Satoshi, Suzuki, Kota, Matsui, Naoki, Hirayama, Masaaki, Mizoguchi, Teruyasu, Saito, Takashi, Kamiyama, Takashi, Kanno, Ryoji

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Machine learning approaches for ELNES/XANES von Mizoguchi, Teruyasu, Kiyohara, Shin

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Radial Distribution Function from X-ray Absorption near Edge Structure with an Artificial Neural Network von Kiyohara, Shin, Mizoguchi, Teruyasu

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Searching the stable segregation configuration at the grain boundary by a Monte Carlo tree search von Kiyohara, Shin, Mizoguchi, Teruyasu

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Nanoscale Investigation of Local Thermal Expansion at SrTiO3 Grain Boundaries by Electron Energy Loss Spectroscopy von Liao, Kunyen, Shibata, Kiyou, Mizoguchi, Teruyasu

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Data-driven approach for the prediction and interpretation of core-electron loss spectroscopy von Kiyohara, Shin, Miyata, Tomohiro, Tsuda, Koji, Mizoguchi, Teruyasu

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Toward the Atomic-Level Analysis of Ground-State Electronic Structures of Solid Materials via Prediction from Core-Loss Spectra: A Computational Study in Si von Takahara, Izumi, Uesugi, Fumihiko, Kimoto, Koji, Shibata, Kiyou, Mizoguchi, Teruyasu

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Effect of van der Waals interactions on the stability of SiC polytypes von Kawanishi, Sakiko, Mizoguchi, Teruyasu

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Ceramic science of crystal defect cores von Matsunaga, Katsuyuki, Yoshiya, Masato, Shibata, Naoya, Ohta, Hiromichi, Mizoguchi, Teruyasu

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COMBO: An efficient Bayesian optimization library for materials science von Ueno, Tsuyoshi, Rhone, Trevor David, Hou, Zhufeng, Mizoguchi, Teruyasu, Tsuda, Koji

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A brute-force code searching for cell of non-identical displacement for CSL grain boundaries and interfaces von Xie, Yaoshu, Shibata, Kiyou, Mizoguchi, Teruyasu

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Bayesian optimization for efficient determination of metal oxide grain boundary structures von Kikuchi, Shun, Oda, Hiromi, Kiyohara, Shin, Mizoguchi, Teruyasu

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Fabrication of thin TEM sample of ionic liquid for high-resolution ELNES measurements von Miyata, Tomohiro, Mizoguchi, Teruyasu

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Basics and applications of ELNES calculations von Ikeno, Hidekazu, Mizoguchi, Teruyasu

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Lightweight and high-precision materials property prediction using pre-trained Graph Neural Networks and its application to a small dataset von Nishio, Kento, Shibata, Kiyou, Mizoguchi, Teruyasu

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Automatic determination of the spectrum–structure relationship by tree structure-based unsupervised and supervised learning von Kiyohara, Shin, Kikumasa, Kakeru, Shibata, Kiyou, Mizoguchi, Teruyasu

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Tensile strength of a transverse grain boundary in a single-walled carbon nanotube von Xie, Yaoshu, Shibata, Kiyou, Mizoguchi, Teruyasu

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Importance of Fermi energy for understanding the intermixing behavior at the LaAlO3/SrTiO3 heterointerface von Yamamoto, Takashi, Mizoguchi, Teruyasu

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A guideline for searching for stable grain boundary structure by utilizing crystallographic information: A method based on non-identical termination von Hata, Yuki, Xie, Yaoshu, Shibata, Kiyou, Mizoguchi, Teruyasu

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