Search Results - "Teruyasu Mizoguchi"

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

“…In this study, we propose a physically informed transfer learning approach for materials informatics (MI) using a quantum deep descriptor (QDD) obtained from…”
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A lithium superionic conductor for millimeter-thick battery electrode by 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

“…No design rules have yet been established for producing solid electrolytes with a lithium-ion conductivity high enough to replace liquid electrolytes and…”
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Radial Distribution Function from X-ray Absorption near Edge Structure with an Artificial Neural Network by Kiyohara, Shin, Mizoguchi, Teruyasu

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

“…Abstract Materials characterization is indispensable for materials development. In particular, spectroscopy provides atomic configuration, chemical bonding and…”
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Nanoscale Investigation of Local Thermal Expansion at SrTiO3 Grain Boundaries by Electron Energy Loss Spectroscopy by Liao, Kunyen, Shibata, Kiyou, Mizoguchi, Teruyasu

“…The presence of grain boundaries (GBs) has a great impact on the coefficient of thermal expansion (CTE) of polycrystals. However, direct measurement of local…”
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Data-driven approach for the prediction and interpretation of core-electron loss spectroscopy by Kiyohara, Shin, Miyata, Tomohiro, Tsuda, Koji, Mizoguchi, Teruyasu

“…Spectroscopy is indispensable for determining atomic configurations, chemical bondings, and vibrational behaviours, which are crucial information for materials…”
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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 by Takahara, Izumi, Uesugi, Fumihiko, Kimoto, Koji, Shibata, Kiyou, Mizoguchi, Teruyasu

“…Local electronic structure in the ground state is essential for understanding the stability and properties of materials. Core-loss spectroscopy using electron…”
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A brute-force code searching for cell of non-identical displacement for CSL grain boundaries and interfaces by Xie, Yaoshu, Shibata, Kiyou, Mizoguchi, Teruyasu

“…Atomic simulation of coincidence-site lattice (CSL) grain boundaries (GBs) and interfaces is of importance for understanding GBs in polycrystalline materials…”
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COMBO: An efficient Bayesian optimization library for materials science by Ueno, Tsuyoshi, Rhone, Trevor David, Hou, Zhufeng, Mizoguchi, Teruyasu, Tsuda, Koji

“…[Display omitted] In many subfields of chemistry and physics, numerous attempts have been made to accelerate scientific discovery using data-driven…”
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Bayesian optimization for efficient determination of metal oxide grain boundary structures by Kikuchi, Shun, Oda, Hiromi, Kiyohara, Shin, Mizoguchi, Teruyasu

“…Recently, powerful methods for determining grain boundary structures with the aid of machine learning techniques have been proposed. However, the application…”
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Fabrication of thin TEM sample of ionic liquid for high-resolution ELNES measurements by Miyata, Tomohiro, Mizoguchi, Teruyasu

“…Investigation of the local structure, ionic and molecular behavior, and chemical reactions at high spatial resolutions in liquids has become increasingly…”
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Basics and applications of ELNES calculations by Ikeno, Hidekazu, Mizoguchi, Teruyasu

“…The electron energy loss near edge structures (ELNES) appearing in an electron energy loss spectrum obtained through transmission electron microscopy (TEM)…”
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Lightweight and high-precision materials property prediction using pre-trained Graph Neural Networks and its application to a small dataset by Nishio, Kento, Shibata, Kiyou, Mizoguchi, Teruyasu

“…Abstract Large data sets are essential for building deep learning models. However, generating large datasets with higher theoretical levels and larger…”
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Automatic determination of the spectrum–structure relationship by tree structure-based unsupervised and supervised learning by Kiyohara, Shin, Kikumasa, Kakeru, Shibata, Kiyou, Mizoguchi, Teruyasu

“…•A new method to interpret electron energy-loss near edge structure and X-ray absorption near edge structure.•Automatic interpretation by both unsupervised and…”
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Acceleration of stable interface structure searching using a kriging approach by Kiyohara, Shin, Oda, Hiromi, Tsuda, Koji, Mizoguchi, Teruyasu

“…Crystalline interfaces have a tremendous impact on the properties of materials. Determination of the atomic structure of the interface is crucial for a…”
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Importance of Fermi energy for understanding the intermixing behavior at the LaAlO3/SrTiO3 heterointerface by Yamamoto, Takashi, Mizoguchi, Teruyasu

“…We investigated the migration energy and vacancy formation energy of La and Sr ions at a LaAlO3/SrTiO3 heterointerface using first-principles calculations. Our…”
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Transfer Learning to Accelerate Interface Structure Searches by Oda, Hiromi, Kiyohara, Shin, Tsuda, Koji, Mizoguchi, Teruyasu

“…Interfaces have atomic structures that are significantly different from those in the bulk, and play crucial roles in material properties. The central…”
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Prediction of interface structures and energies via virtual screening by Kiyohara, Shin, Oda, Hiromi, Miyata, Tomohiro, Mizoguchi, Teruyasu

“…Interfaces markedly affect the properties of materials because of differences in their atomic configurations. Determining the atomic structure of the interface…”
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Revealing Spatial Distribution of Al-Coordinated Species in a Phase-Separated Aluminosilicate Glass by STEM-EELS by Liao, Kunyen, Masuno, Atsunobu, Taguchi, Ayako, Moriwake, Hiroki, Inoue, Hiroyuki, Mizoguchi, Teruyasu

“…Structure determination of glass remains an important issue in glass science. The electron microscope with its high spatial resolution and versatile functions…”
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Atomic Structure of a CeO2 Grain Boundary: The Role of Oxygen Vacancies by Hojo, Hajime, Mizoguchi, Teruyasu, Ohta, Hiromichi, Findlay, Scott D, Shibata, Naoya, Yamamoto, Takahisa, Ikuhara, Yuichi

“…Determining both cation and oxygen sublattices of grain boundaries is essential to understand the properties of oxides. Here, with scanning transmission…”
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