Predicting Catalytic Activity of Nanoparticles by a DFT-Aided Machine-Learning Algorithm von Jinnouchi, Ryosuke, Asahi, Ryoji

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Transfer learning for materials informatics using crystal graph convolutional neural network von Lee, Joohwi, Asahi, Ryoji

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Descriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials von Jinnouchi, Ryosuke, Karsai, Ferenc, Verdi, Carla, Asahi, Ryoji, Kresse, Georg

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Microstructure recognition using convolutional neural networks for prediction of ionic conductivity in ceramics von Kondo, Ruho, Yamakawa, Shunsuke, Masuoka, Yumi, Tajima, Shin, Asahi, Ryoji

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On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations von Jinnouchi, Ryosuke, Miwa, Kazutoshi, Karsai, Ferenc, Kresse, Georg, Asahi, Ryoji

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Optically Tunable Amino-Functionalized Graphene Quantum Dots von Tetsuka, Hiroyuki, Asahi, Ryoji, Nagoya, Akihiro, Okamoto, Kazuo, Tajima, Ichiro, Ohta, Riichiro, Okamoto, Atsuto

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A Universal 3D Voxel Descriptor for Solid-State Material Informatics with Deep Convolutional Neural Networks von Kajita, Seiji, Ohba, Nobuko, Jinnouchi, Ryosuke, Asahi, Ryoji

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Machine learning and atomistic origin of high dielectric permittivity in oxides von Shimano, Yuho, Kutana, Alex, Asahi, Ryoji

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Extrapolating Energetics on Clusters and Single-Crystal Surfaces to Nanoparticles by Machine-Learning Scheme von Jinnouchi, Ryosuke, Hirata, Hirohito, Asahi, Ryoji

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Molecular dynamics simulations using machine learning potential for a-Si:H/c-Si interface: Effects of oxygen and hydrogen on interfacial defect states von Semba, Takayuki, McKibbin, Jacob, Jinnouchi, Ryosuke, Asahi, Ryoji

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Nitrogen complex species and its chemical nature in TiO2 for visible-light sensitized photocatalysis von Asahi, Ryoji, Morikawa, Takeshi

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Permittivity boosting by induced strain from local doping in titanates from first principles von Kutana, Alex, Shimano, Yuho, Asahi, Ryoji

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Nitrogen-Doped Titanium Dioxide as Visible-Light-Sensitive Photocatalyst: Designs, Developments, and Prospects von Asahi, Ryoji, Morikawa, Takeshi, Irie, Hiroshi, Ohwaki, Takeshi

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What Makes the Photocatalytic CO2 Reduction on N‑Doped Ta2O5 Efficient: Insights from Nonadiabatic Molecular Dynamics von Akimov, Alexey V, Asahi, Ryoji, Jinnouchi, Ryosuke, Prezhdo, Oleg V

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Oxygen conduction mechanism in Ca3Fe2Ge3O12 garnet-type oxide von Lee, Joohwi, Ohba, Nobuko, Asahi, Ryoji

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Superconductivity information extraction from the literature: A new corpus and its evaluations von Yamaguchi, Kyosuke, Asahi, Ryoji, Sasaki, Yutaka

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Improvement of thermoelectric properties for half-Heusler TiNiSn by interstitial Ni defects von Hazama, Hirofumi, Matsubara, Masato, Asahi, Ryoji, Takeuchi, Tsunehiro

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Theoretical and Experimental Studies of KLi6TaO6 as a Li-Ion Solid Electrolyte von Suzuki, Nobuaki, Lee, Joohwi, Masuoka, Yumi, Ohta, Shingo, Kobayashi, Tetsuro, Asahi, Ryoji

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Discovery of superionic conductors by ensemble-scope descriptor von Kajita, Seiji, Ohba, Nobuko, Suzumura, Akitoshi, Tajima, Shin, Asahi, Ryoji

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Numerical study of Li diffusion in polycrystalline LiCoO2 von Yamakawa, Shunsuke, Yamasaki, Hisatsugu, Koyama, Toshiyuki, Asahi, Ryoji

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