Papers - ASAHI Ryoji

Characterization of AE(TM)(2)Bi2O9 (AE: Ca, Sr, Ba; TM: Nb, Ta) as oxide ion conductors Reviewed

Tajima Shin, Ohba Nobuko, Suzumura Akitoshi, Masuoka Yumi, Asahi Ryoji

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY   Vol. 41 ( 2 ) page： 1352 - 1359   2021.2

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Authorship：Last author,　Corresponding author   Language：English   Publishing type：Research paper (other academic)   Publisher：Journal of the European Ceramic Society  

DOI： 10.1016/j.jeurceramsoc.2020.10.028

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Stationary interatomic force constant matrix method with ultrasoft pseudopotentials Reviewed

Miwa Kazutoshi, Asahi Ryoji

PHYSICAL REVIEW B   Vol. 102 ( 17 )   2020.11

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Authorship：Last author   Language：English   Publishing type：Research paper (other academic)   Publisher：Physical Review B  

DOI： 10.1103/PhysRevB.102.174313

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On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations Reviewed

Jinnouchi Ryosuke, Miwa Kazutoshi, Karsai Ferenc, Kresse Georg, Asahi Ryoji

JOURNAL OF PHYSICAL CHEMISTRY LETTERS   Vol. 11 ( 17 ) page： 6946 - 6955   2020.9

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Authorship：Last author,　Corresponding author   Language：English   Publishing type：Research paper (other academic)   Publisher：Journal of Physical Chemistry Letters  

DOI： 10.1021/acs.jpclett.0c01061

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Charge Trapping Process in Photoexcited Nitrogen-Doped Titanium Oxides Reviewed

Sato Kosuke, Yamanaka Ken-ichi, Nozawa Shunsuke, Fukuzawa Hironobu, Katayama Tetsuo, Morikawa Takeshi, Nonaka Takamasa, Dohmae Kazuhiko, Ueda Kiyoshi, Yabashi Makina, Asahi Ryoji

INORGANIC CHEMISTRY   Vol. 59 ( 15 ) page： 10439 - 10449   2020.8

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Authorship：Last author,　Corresponding author   Language：English   Publishing type：Research paper (other academic)   Publisher：Inorganic Chemistry  

DOI： 10.1021/acs.inorgchem.0c00696

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Descriptors representing two- and three-body atomic distributions and their effects on the accuracy of machine-learned inter-atomic potentials Reviewed

Jinnouchi Ryosuke, Karsai Ferenc, Verdi Carla, Asahi Ryoji, Kresse Georg

JOURNAL OF CHEMICAL PHYSICS   Vol. 152 ( 23 ) page： 234102   2020.6

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Language：English   Publishing type：Research paper (other academic)   Publisher：Journal of Chemical Physics  

DOI： 10.1063/5.0009491

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Discovery of superionic conductors by ensemble-scope descriptor Reviewed

Kajita Seiji, Ohba Nobuko, Suzumura Akitoshi, Tajima Shin, Asahi Ryoji

NPG ASIA MATERIALS   Vol. 12 ( 1 )   2020.4

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Authorship：Last author,　Corresponding author   Language：English   Publishing type：Research paper (other academic)   Publisher：NPG Asia Materials  

DOI： 10.1038/s41427-020-0211-1

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Design Rules for High Oxygen-Ion Conductivity in Garnet-Type Oxides Reviewed

Lee Joohwi, Ohba Nobuko, Asahi Ryoji

CHEMISTRY OF MATERIALS   Vol. 32 ( 4 ) page： 1358 - 1370   2020.2

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Authorship：Last author,　Corresponding author   Language：English   Publishing type：Research paper (other academic)   Publisher：Chemistry of Materials  

DOI： 10.1021/acs.chemmater.9b02044

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Identifying superionic conductors by materials informatics and high-throughput synthesis Reviewed

Matsubara Masato, Suzumura Akitoshi, Ohba Nobuko, Asahi Ryoji

COMMUNICATIONS MATERIALS   Vol. 1 ( 1 )   2020.2

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Authorship：Last author,　Corresponding author   Language：English   Publishing type：Research paper (other academic)  

DOI： 10.1038/s43246-019-0004-7

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SC-CoMIcs: A superconductivity corpus for materials informatics Reviewed

Yamaguchi K., Asahi R., Sasaki Y.

LREC 2020 - 12th International Conference on Language Resources and Evaluation, Conference Proceedings     page： 6753 - 6760   2020

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Language：English   Publishing type：Research paper (other academic)   Publisher：LREC 2020 - 12th International Conference on Language Resources and Evaluation, Conference Proceedings  

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Atomistic Modeling of Photoelectric Cells for Artificial Photosynthesis Reviewed

Asahi Ryoji, Jinnouchi Ryosuke

MULTISCALE SIMULATIONS FOR ELECTROCHEMICAL DEVICES     page： 107 - 145   2020

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Authorship：Lead author,　Corresponding author   Language：English   Publishing type：Research paper (other academic)  

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Multiscale Simulations for Electrochemical Devices Preface Reviewed

Asahi Ryoji

MULTISCALE SIMULATIONS FOR ELECTROCHEMICAL DEVICES     page： XI - XIV   2020

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Authorship：Lead author,　Corresponding author   Language：English   Publishing type：Research paper (other academic)  

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Highly efficient evaluation of diffusion networks in Li ionic conductors using a 3D-corrugation descriptor Reviewed

France-Lanord Arthur, Asahi Ryoji, Leblanc Benoit, Lee Joohwi, Wimmer Erich

SCIENTIFIC REPORTS   Vol. 9 ( 1 ) page： 15123   2019.10

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Authorship：Corresponding author   Language：English   Publishing type：Research paper (other academic)   Publisher：Scientific Reports  

DOI： 10.1038/s41598-019-51585-z

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y Path integral study on C15-type Laves TiCr2 hydride Reviewed

Miwa Kazutoshi, Asahi Ryoji

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY   Vol. 44 ( 42 ) page： 23708 - 23715   2019.9

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Authorship：Last author   Language：English   Publishing type：Research paper (other academic)   Publisher：International Journal of Hydrogen Energy  

DOI： 10.1016/j.ijhydene.2019.07.086

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Phosphorescent Material Search Using a Combination of High-Throughput Evaluation and Machine Learning Reviewed

Hazama Hirofumi, Sobue Susumu, Tajima Shin, Asahi Ryoji

INORGANIC CHEMISTRY   Vol. 58 ( 16 ) page： 10936 - 10943   2019.8

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Authorship：Last author   Language：English   Publishing type：Research paper (other academic)   Publisher：Inorganic Chemistry  

DOI： 10.1021/acs.inorgchem.9b01370

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Development of a High-Throughput Screening Method for Oxide-Ion Conductors and Its Application to Bismuth-Based Oxide Library Thin Films Reviewed

Matsubara Masato, Suzumura Akitoshi, Tajima Shin, Asahi Ryoji

ACS COMBINATORIAL SCIENCE   Vol. 21 ( 5 ) page： 400 - 407   2019.5

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Authorship：Last author,　Corresponding author   Language：English   Publishing type：Research paper (other academic)   Publisher：ACS Combinatorial Science  

DOI： 10.1021/acscombsci.8b00193

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Water Facilitated Electrochemical Reduction of CO2 on Cobalt-Porphyrin Catalysts Reviewed

Miyamoto Kaito, Asahi Ryoji

JOURNAL OF PHYSICAL CHEMISTRY C   Vol. 123 ( 15 ) page： 9944 - 9948   2019.4

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Authorship：Last author,　Corresponding author   Language：English   Publishing type：Research paper (other academic)   Publisher：Journal of Physical Chemistry C  

DOI： 10.1021/acs.jpcc.9b01195

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Hybrid Quantum-Classical Simulation of Li Ion Dynamics and the Decomposition Reaction of Electrolyte Liquid at a Negative-Electrode/Electrolyte Interface Reviewed

Ohba Nobuko, Ogata Shuji, Asahi Ryoji

JOURNAL OF PHYSICAL CHEMISTRY C   Vol. 123 ( 15 ) page： 9673 - 9679   2019.4

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Authorship：Last author   Language：English   Publishing type：Research paper (other academic)   Publisher：Journal of Physical Chemistry C  

DOI： 10.1021/acs.jpcc.8b11737

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Collaborative effects of Zn and Sb Co-doping in magnesium silicide for thermoelectric applications Reviewed

Masuoka Yumi, Mito Youhiko, Ogino Atsushi, Nakamura Takashi, Amano Kumi, Asahi Ryoji

JOURNAL OF ALLOYS AND COMPOUNDS   Vol. 781   page： 606 - 612   2019.4

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Authorship：Last author,　Corresponding author   Language：English   Publishing type：Research paper (other academic)   Publisher：Journal of Alloys and Compounds  

DOI： 10.1016/j.jallcom.2018.12.103

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First-principles prediction of high oxygen-ion conductivity in trilanthanide gallates Ln(3)GaO(6) Reviewed

Lee Joohwi, Ohba Nobuko, Asahi Ryoji

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS   Vol. 20 ( 1 ) page： 144 - 159   2019.3

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Authorship：Last author   Language：English   Publishing type：Research paper (other academic)   Publisher：Science and Technology of Advanced Materials  

DOI： 10.1080/14686996.2019.1578183

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Correlation between thermal-vibration-induced large displacement of Cu atoms and phase transition in Cu4SnS4: First-principles investigation Reviewed

Nagasako Naoyuki, Suzumura Akitoshi, Asahi Ryoji

ACTA MATERIALIA   Vol. 166   page： 37 - 46   2019.3

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Authorship：Last author   Language：English   Publishing type：Research paper (other academic)   Publisher：Acta Materialia  

DOI： 10.1016/j.actamat.2018.11.058

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