Toyoura Kazuaki 豊浦和明

… Alternative Names

TOYOURA Kazuaki 豊浦和明

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Researcher Number	60590172
Other IDs	https://orcid.org/0000-0001-8964-0511
Affiliation (Current)	2025: 京都大学, 工学研究科, 准教授
Affiliation (based on the past Project Information) *help	2016 – 2024: 京都大学, 工学研究科, 准教授 2017: 京都大学, 工学(系)研究科(研究院), 研究員 2011 – 2015: 名古屋大学, 工学(系)研究科(研究院), 助教 2012: 名古屋大学, 工学研究科, 助教
Review Section/Research Field	Principal Investigator Basic Section 26010:Metallic material properties-related / Inorganic materials/Physical properties / Medium-sized Section 26:Materials engineering and related fields / Physical properties of metals/Metal-base materials Except Principal Investigator Science and Engineering / Intelligent informatics
Keywords	Principal Investigator 第一原理計算 / プロトン伝導 / イオン伝導 / 多元系材料探索 / 機械学習 / マテリアルズ・インフォマティクス / ポテンシャルエネルギー曲面 / スペクトラルグラフ理論 / 高速スクリーニング / 無機結晶構造データベース … More / 水和物 / 化学蓄熱 / ハイスループット・スクリーニング / プロトン伝導性酸化物 / 固体イオニクス / kinetic Monte Carlo法 / nudged elastic band法 / 第一原理分子動力学法 / ピロリン酸塩 / 水酸化物イオン伝導 / ランタンリン酸塩 / リン酸塩 / プロトン … More Except Principal Investigator 機械学習 / 第一原理計算 / インフォマティックス / ナノ計測 / シミュレーション / 情報科学 / 透過型電子顕微鏡 / 機械学習ポテンシャル / プロセスインフォマティックス / 計測インフォマティックス / 表面 / マテリアルズインフォマティクス / 計測インフォマティクス / 転位 / 界面 / 格子欠陥 / 機能コア / ビッグデータ / ビッグ・データ / Selective Inference / 生物科学 / Post-Selection Inference / 医療科学 / 生物化学 / 材料科学 / 統計科学 / 走査型プローブ顕微鏡 / 異種材料表面 / 点欠陥 / 表面構造 / 走査プローブ顕微鏡 / 異種材料界面 Less

第一原理計算と機械学習を融合した多元系空間における材料探索技術の構築Principal Investigator
- Principal Investigator
  
  豊浦和明
- Project Period (FY)
  2024 – 2027
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  Kyoto University
Materials search for chemical heat storage by combining theoretical computational science and data sciencePrincipal Investigator
- Principal Investigator
  
  Toyoura Kazuaki
- Project Period (FY)
  2020 – 2022
- Research Category
  
  Grant-in-Aid for Challenging Research (Exploratory)
- Review Section
  
  Medium-sized Section 26:Materials engineering and related fields
- Research Institution
  Kyoto University
Dominant factor analysis of ionic conduction in solids based on the spectral graph theoryPrincipal Investigator
- Principal Investigator
  
  Toyoura Kazuaki
- Project Period (FY)
  2020 – 2022
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  Kyoto University
Computational design of functional core using informatics approaches
- Principal Investigator
  
  Mizoguchi Teruyasu
- Project Period (FY)
  2019 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
Methods for selecting and testing hypothesis in big data-driven science and its demonstration in materials, biology, and medicine
- Principal Investigator
  
  Takeuchi Ichiro
- Project Period (FY)
  2017 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Intelligent informatics
- Research Institution
  Nagoya Institute of Technology
Accurate high-throuput screening for mult-icomponent ionic conductorsPrincipal Investigator
- Principal Investigator
  
  Toyoura Kazuaki
- Project Period (FY)
  2017 – 2019
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Physical properties of metals/Metal-base materials
- Research Institution
  Kyoto University
Fast diffusion mechanism of hydroxide ions in oxidesPrincipal Investigator
- Principal Investigator
  
  Toyoura Kazuaki
- Project Period (FY)
  2015 – 2016
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Inorganic materials/Physical properties
- Research Institution
  Kyoto University
  Nagoya University
Frontier of nanometer scale structure analyses
- Principal Investigator
  
  Matsunaga Katsuyuki
- Project Period (FY)
  2013 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Nagoya University
Materials design of proton-conducting phosphatesPrincipal Investigator
- Principal Investigator
  
  TOYOURA Kazuaki
- Project Period (FY)
  2011 – 2012
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Inorganic materials/Physical properties
- Research Institution
  Nagoya University

All 2023 2022 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 Other

All Journal Article Presentation Book

[Book] Chapter 2, Nanoinformatics2018
- Author(s)
  Kazuaki Toyoura, Ichiro Takeuchi
- Total Pages
  20
- Publisher
  Springer, Singapore
- ISBN
  9789811076169
- Data Source
  KAKENHI-PROJECT-17H04948
[Book] 第一原理計算 ~構造最適化に向けた材料・デバイス別事例集2012
- Author(s)
  伊藤聡,松永克志,豊浦和明他 27 名
- Total Pages
  342
- Publisher
  情報機構
- Data Source
  KAKENHI-PROJECT-23760638
[Journal Article] Structure search method for atomic clusters based on the dividing rectangles algorithm,2023
- Author(s)
  K. Kanayama, A. Seko, K. Toyoura
- Journal Title
  
  Phys. Rev. E
  
  Volume: 108 Issue: 3 Pages: 035303-035303
- DOI
  10.1103/physreve.108.035303
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19H05787, KAKENHI-PROJECT-23K23024
[Journal Article] Multihill strategy in metadynamics for interstitial diffusion in crystals,2023
- Author(s)
  K. Toyoura
- Journal Title
  
  Phys. Rev. B
  
  Volume: 108 Issue: 13
- DOI
  10.1103/physrevb.108.134113
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19H05787
[Journal Article] A kinetic Monte Carlo study for Haven ratio of proton transport in perovskite ceramics2023
- Author(s)
  K. Toyoura, T. Takahashi
- Journal Title
  
  J. Ceram. Soc. Japan
  
  Volume: 131 Issue: 10 Pages: 731-737
- DOI
  10.2109/jcersj2.23020
- ISSN
  1348-6535, 1882-0743
- Year and Date
  2023-10-01
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19H05787
[Journal Article] 機能コア解析のためのソフトウェア開発と応用2022
- Author(s)
  世古敦人，豊浦和明，柴田基洋，溝口照康
- Journal Title
  
  まてりあ
  
  Volume: Vol. 61, No. 10 Pages: 634-639
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19H05787
[Journal Article] Protonic Conduction in La2NiO4+delta and La2-xAxNiO4+delta (A = Ca, Sr, Ba) Ruddlesden-Popper Type Oxides2022
- Author(s)
  Peng Zhong, Kazuaki Toyoura,* Lulu Jiang, Lubing Chen, Sara Adeeba Ismail, Naoyuki Hatada, Truls Norby,* and Donglin Han*
- Journal Title
  
  Adv. Energy Mater.
  
  Volume: 12 Issue: 22
- DOI
  10.1002/aenm.202200392
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02422
[Journal Article] Theoretical study on proton diffusivity in Y-doped BaZrO3 with realistic dopant configurations2021
- Author(s)
  Fujii Takeo、Toyoura Kazuaki、Uda Tetsuya、Kasamatsu Shusuke
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 23 Issue: 10 Pages: 5908-5918
- DOI
  10.1039/d0cp06035f
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19K15287, KAKENHI-PROJECT-20H02422
[Journal Article] Machine-learning-based sampling method for exploring local energy minima of interstitial species in a crystal2020
- Author(s)
  Toyoura Kazuaki、Kanayama Kansei
- Journal Title
  
  Physical Review B
  
  Volume: 102 Issue: 17
- DOI
  10.1103/physrevb.102.174105
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-19H05787
[Journal Article] Sampling strategy in efficient potential energy surface mapping for predicting atomic diffusivity in crystals by machine learning2020
- Author(s)
  Toyoura Kazuaki、Fujii Takeo、Kanamori Kenta、Takeuchi Ichiro
- Journal Title
  
  Physical Review B
  
  Volume: 101 Issue: 18 Pages: 26823-26830
- DOI
  10.1103/physrevb.101.184117
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-19H05787
[Journal Article] 5．第一原理計算と機械学習による固体イオニクス材料の高効率評価手法2020
- Author(s)
  豊浦和明, 金森研太, 竹内一郎
- Journal Title
  
  Denki Kagaku
  
  Volume: 88 Issue: 1 Pages: 28-35
- DOI
  10.5796/denkikagaku.20-FE0006
- NAID
  130007806099
- ISSN
  2433-3255, 2433-3263
- Year and Date
  2020-03-05
- Language
  Japanese
- Data Source
  KAKENHI-PROJECT-17H04948
[Journal Article] Carrier-carrier interaction in proton-conducting perovskites: carrier blocking vs trap-site filling2019
- Author(s)
  K. Toyoura, T. Fujii, N. Hatada, D. Han, T. Uda
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 123 Issue: 44 Pages: 26823-26830
- DOI
  10.1021/acs.jpcc.9b08199
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H04948
[Journal Article] Exploring a potential energy surface by machine learning for characterizing atomic transport2018
- Author(s)
  Kanamori Kenta、Toyoura Kazuaki、Honda Junya、Hattori Kazuki、Seko Atsuto、Karasuyama Masayuki、Shitara Kazuki、Shiga Motoki、Kuwabara Akihide、Takeuchi Ichiro
- Journal Title
  
  Physical Review B
  
  Volume: 97 Issue: 12 Pages: 125124-125124
- DOI
  10.1103/physrevb.97.125124
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-16H00736, KAKENHI-PLANNED-25106008, KAKENHI-PROJECT-17H00758, KAKENHI-PROJECT-16H02866, KAKENHI-PROJECT-17H04694, KAKENHI-PROJECT-17H04948
[Journal Article] Preferential proton conduction along a threedimensional dopant network in yttrium-doped barium zirconate: a first-principles study2018
- Author(s)
  Kazuaki Toyoura, Weijie Meng, Donglin Han, Tetsuya Uda
- Journal Title
  
  Journal of Materials Chemistry A
  
  Volume: 6 Issue: 45 Pages: 22721-22730
- DOI
  10.1039/c8ta08283a
- NAID
  120006543403
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H04948
[Journal Article] Physical origin of unusual anisotropic motion of columnar oxygen ions in apatite-type fast ionic conductor of lanthanum silicate2017
- Author(s)
  K. Matsunaga, K. Imaizumi, A. Nakamura, K. Toyoura
- Journal Title
  
  Journal of Physical Chemistry C
  
  Volume: 121 Issue: 38 Pages: 20621-20628
- DOI
  10.1021/acs.jpcc.7b06086
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25106002, KAKENHI-PROJECT-17H06094
[Journal Article] <10-10> dislocation at a {2-1-10} low-angle grain boundary in LiNbO32017
- Author(s)
  Furushima Yuho、Nakamura Atsutomo、Tochigi Eita、Ikuhara Yuichi、Toyoura Kazuaki、Matsunaga Katsuyuki
- Journal Title
  
  Journal of Materials Science
  
  Volume: 53 Issue: 1 Pages: 333-344
- DOI
  10.1007/s10853-017-1532-5
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17K18983, KAKENHI-PLANNED-25106002, KAKENHI-PLANNED-25106003, KAKENHI-PROJECT-15H04145, KAKENHI-PROJECT-17H06094
[Journal Article] Cooperative oxide-ion conduction in apatite-type lanthanum germanate - A first principles study2017
- Author(s)
  K. Imaizumi, K. Toyoura, A. Nakamura, K. Matsunaga
- Journal Title
  
  J. Ceram. Soc. Jpn
  
  Volume: 125 Pages: 105-111
- NAID
  130005401700
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25106002
[Journal Article] A First-Principles Study on Proton Conductivity of Acceptor-Doped Tin Pyrophosphate2017
- Author(s)
  K. Toyoura, J. Terasaka, A. Nakamura, K. Matsunaga
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 121 Pages: 1578-1584
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106002
[Journal Article] A First-Principles Study on Proton Conductivity of Acceptor-Doped Tin Pyrophosphate2017
- Author(s)
  K. Toyoura, J. Terasaka, A. Nakamura, K. Matsunaga
- Journal Title
  
  Physical Chemistry C
  
  Volume: 121 Issue: 3 Pages: 1578-1584
- DOI
  10.1021/acs.jpcc.6b12532
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15H04145, KAKENHI-PROJECT-15K14123
[Journal Article] Adsorption sites of single noble metal atoms on the rutile TiO2 (110) surface influenced by different surface oxygen vacancies2016
- Author(s)
  K. Matsunaga, T.Y.Chang, R. Ishikawa, Q.Dong, K. Toyoura, A. Nakamura, Y. Ikuhara, N. Shibata
- Journal Title
  
  J. Phys.:Condensed Matter
  
  Volume: 28 Pages: 175002-175002
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106002
[Journal Article] Dislocation structures and electrical conduction properties of low angle tilt grain boundaries in LiNbO32016
- Author(s)
  Y. Furushima, A. Nakamura, E. Tochigi, Y. Ikuhara, K. Toyoura, K. Matsunaga,
- Journal Title
  
  J. Appl. Phys.
  
  Volume: 120 Pages: 142107-142107
- NAID
  120006331828
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106002
[Journal Article] Machine-learning-based selective sampling procedure for identifying the low-energy region in a potential energy surface: A case study on proton conduction in oxides2016
- Author(s)
  K. Toyoura, D. Hirano, A. Seko, M. Shiga, A. Kuwabara, M. Karasuyama, K. Shitara, I. Takeuchi
- Journal Title
  
  Physical Review B
  
  Volume: 93 Pages: 054112-054112
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106002
[Journal Article] A first-principles study on proton and hydroxide-ion conduction in acceptor- and donor-dopped tin pyrophosphoate2016
- Author(s)
  Kazuaki Toyoura, Junya Terasaka, Atsutomo Nakamura, and Katsuyuki Matsunaga
- Journal Title
  
  AMTC letters
  
  Volume: 5 Pages: 86-87
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K14123
[Journal Article] Hydroxide-ion incorporation and conduction mechanisms in tin pyrophosphate – a firstprinciples study2015
- Author(s)
  Junya Terasaka, Kazuaki Toyoura, Atsutomo Nakamura, Katsuyuki Matsunaga
- Journal Title
  
  Journal of Materials Chemistry A
  
  Volume: 3 Issue: 22 Pages: 11905-11911
- DOI
  10.1039/c5ta01676b
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15K14123, KAKENHI-PROJECT-15H04145, KAKENHI-PROJECT-26630311
[Journal Article] First-principles study on phase transition and ferroelectricity in pseudo-Ilmenite lithium niobate and tantalate2015
- Author(s)
  K. Toyoura, M. Ohta, A. Nakamura, K. Matsunaga
- Journal Title
  
  Journal of Applied Physics
  
  Volume: 118 Pages: 064103-064103
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106002
[Journal Article] Hydroxide-ion incorporation and conduction mechanisms in tin pyrophosphate2015
- Author(s)
  J. Terasaka, K. Toyoura, A. Nakamura, K. Matsunaga
- Journal Title
  
  Journal of Materials Chemistry A
  
  Volume: 3 Pages: 11905-11911
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106002
[Journal Article] Strong correlation in 1D oxygen-ion conduction of apatite-type lanthanum silicate2015
- Author(s)
  K. Imaizumi, K. Toyoura, A. Nakamura, K. Matsunaga
- Journal Title
  
  Journal of Physics:Condensed Matter
  
  Volume: 27 Pages: 365601-365601
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106002
[Journal Article] Stable sites and diffusion pathways of interstitial oxide ions in lanthanum germanate2014
- Author(s)
  K. Imaizumi, K. Toyoura*, A. Nakamura, K. Matsunaga
- Journal Title
  
  Solid State Ionics
  
  Volume: 262 Pages: 512-516
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106002
[Journal Article] Existence of basal oxygen vacancies on the rutile TiO2 (110) surface2014
- Author(s)
  K. Matsunaga*, Y. Tanaka, K. Toyoura, A. Nakamura, Y. Ikuhara, N. Shibata
- Journal Title
  
  Physical Review B
  
  Volume: 90 Pages: 195303-195303
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106002
[Journal Article] Direct imaging of Pt single atoms adsorbed on TiO2(110) surfaces2014
- Author(s)
  T.Y. Chang, Y. Tanaka, R. Ishikawa, K. Toyoura, K. Matsunaga, Y. Ikuhara, and N. Shibata
- Journal Title
  
  Nano Letters
  
  Volume: 14 Pages: 134-138
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25106002
[Journal Article] Vapor Pressure Measurements on Lanthanum Polyphosphate and Ultraphosphate by Transpiration Metho2013
- Author(s)
  N. Hatada, K Toyoura, Y Nose, T. Uda
- Journal Title
  
  J. Chem. Thermodyn.
  
  Volume: 61 Pages: 147-153
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760638
[Journal Article] Proton-conducting network in lanthanum orthophosphate2012
- Author(s)
  K. Toyoura, N. Hatada, Y. Nose, I. Tanaka, K. Matsunaga, and T. Uda
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 116 Pages: 19117-19124
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760638
[Journal Article] Proton-Conducting Network in Lanthanum Orthophosphate2012
- Author(s)
  Kazuaki Toyoura
- Journal Title
  
  Journal of Physical Chemistry
  
  Volume: 116 Pages: 19117-19124
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760638
[Journal Article] Effect of cation disorder on the solubility and result of doping in oxides2012
- Author(s)
  W. Xing, K. Toyoura, and *T. Norby
- Journal Title
  
  Int. J. Hydrogen Energy
  
  Volume: 37 Pages: 8062-8065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760638
[Journal Article] Nitrogen and hydrogen defect equilibria in Ca_12Al_14O_33: a combined experimental and computational study2012
- Author(s)
  J. M. Polfus, K. Toyoura, C. H. Hervoches, M. F. Sunding, I. Tanaka, *R. Haugsrud
- Journal Title
  
  J. Mater. Chem
  
  Volume: 22 Pages: 15828-15828
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760638
[Journal Article] Proton transfer mechanism in lanthanum orthophosphate2012
- Author(s)
  K. Toyoura, N. Hatada,Y. Nose, T. Uda, I. Tanaka, and K. Matsunaga
- Journal Title
  
  AMTC letters, accept
  
  Volume: -
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760638
[Journal Article] First-principles analysis of oxide-ion conduction mechanism in lanthanum silicate2012
- Author(s)
  K. Matsunaga and K. Toyoura
- Journal Title
  
  J. Mater. Chem
  
  Volume: 22 Pages: 7265-7273
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760638
[Journal Article] First principles calculations of point defects in acceptor-doped BaZrO_32012
- Author(s)
  A. Kuwabara, K. Toyoura, Y . Koyama, C. Fisher, F. Oba, K. Matsunaga, H. Moriwake, I. Tanaka
- Journal Title
  
  AMTC letters
  
  Volume: 3 Pages: 120-121
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760638
[Journal Article] Theoretical calculations of oxide-ion diffusion pathway in apatite-type lanthanum silicate2012
- Author(s)
  K. Matsunaga and K. Toyoura
- Journal Title
  
  AMTC letters
  
  Volume: 3 Pages: 246-247
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760638
[Journal Article] Defect chemistry of a BaZrO_3 sigma3 (111) grain boundary by first principles calculations and space charge theory2012
- Author(s)
  J. M. Polfus, K. Toyoura, F. Oba, I. Tanaka, and *R. Haugsrud
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 14 Pages: 12339-12346
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760638
[Journal Article] Proton transfer mechanism in lanthanum orthophosphate2012
- Author(s)
  K. Toyoura, N. Hatada,Y. Nose, T. Uda, I. Tanaka, and K. Matsunaga
- Journal Title
  
  AMTC letters
  
  Volume: 3 Pages: 130-131
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760638
[Journal Article] First-principles thermodynamics of La_2O_3-P_2O_5 pseudobinary system2011
- Author(s)
  K. Toyoura, N. Hatada, Y. Nose, T. Uda, and I. Tanaka
- Journal Title
  
  Phys. Rev. B
  
  Volume: 84
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] Efficient Exploration of Potential Energy Surfaces by Machine Learning2022
- Author(s)
  Kazuaki Toyoura
- Organizer
  IUMRS-ICYRAM 2022
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02422
[Presentation] 第一原理計算で紐解く固体内プロトン伝導の微視的描像2022
- Author(s)
  豊浦和明
- Organizer
  第16回固体イオニクスセミナー
- Invited
- Data Source
  KAKENHI-PROJECT-20H02422
[Presentation] DiRectアルゴリズムに基づいた大域的最適化手法の開発と構造探索への応用2022
- Author(s)
  金山侃生，豊浦和明，宇田哲也
- Organizer
  日本金属学会2022年春季講演大会
- Data Source
  KAKENHI-PLANNED-19H05787
[Presentation] 機械学習を用いたポテンシャルエネルギー曲面の高効率探索2021
- Author(s)
  豊浦和明
- Organizer
  日本金属学会2021年秋期講演大会
- Invited
- Data Source
  KAKENHI-PLANNED-19H05787
[Presentation] 機械学習を用いたポテンシャルエネルギー曲面の高効率探索2021
- Author(s)
  豊浦和明
- Organizer
  日本金属学会2021年秋期講演大会
- Invited
- Data Source
  KAKENHI-PROJECT-20H02422
[Presentation] Potential energy surface mapping by machine learning for characterizing atomic diffusion in crystals2019
- Author(s)
  Kazuaki Toyoura
- Organizer
  The 13th Pacific Rim Conference of Ceramic Societies (PACRIM13), Ginowan, Okinawa, Oct.28, 2019
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-19H05787
[Presentation] 酸化物中におけるプロトン拡散の原子論的理解2019
- Author(s)
  豊浦和明
- Organizer
  第76回固体イオニクス研究会、2019/12/5
- Invited
- Data Source
  KAKENHI-PLANNED-19H05787
[Presentation] マスター方程式を用いた相互作用粒子拡散の定量評価手法2019
- Author(s)
  藤井健雄, 豊浦和明, 宇田哲也
- Organizer
  第15回固体イオニクスセミナー
- Data Source
  KAKENHI-PROJECT-17H04948
[Presentation] Potential energy surface mapping by machine learning for characterizing atomic diffusion in crystals2019
- Author(s)
  Kazuaki Toyoura
- Organizer
  The 13th Pacific Rim Conference of Ceramic Societies (PACRIM13)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H04948
[Presentation] プロトン伝導性BaZrO3中のキャリア間相互作用2019
- Author(s)
  豊浦和明, 藤井健雄, 畑田直行, 韓東麟, 宇田哲也
- Organizer
  日本金属学会2019年秋期講演大会，2019/9/12
- Data Source
  KAKENHI-PLANNED-19H05787
[Presentation] プロトン伝導性BaZrO3中のキャリア間相互作用2019
- Author(s)
  豊浦和明, 藤井健雄, 畑田直行, 韓東麟, 宇田哲也
- Organizer
  日本金属学会2019年秋期講演大会
- Data Source
  KAKENHI-PROJECT-17H04948
[Presentation] 酸化物中におけるプロトン拡散の原子論的理解2019
- Author(s)
  豊浦和明
- Organizer
  第76回固体イオニクス研究会「プロトン伝導体の研究最前線」
- Invited
- Data Source
  KAKENHI-PROJECT-17H04948
[Presentation] Preferential proton conduction along a 3D dopant network in highly- doped barium zirconate - A first-principles study2019
- Author(s)
  Kazuaki Toyoura, Weijie Meng, Donglin Han, Tetsuya Uda
- Organizer
  The 6th International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC6)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H04948
[Presentation] 機械学習による伝導性材料の物性値推定2018
- Author(s)
  竹内一郎，金森研太，豊浦和明，本多淳也，服部，世古敦人，烏山昌幸，設楽一樹，志賀元紀，桑原彰秀
- Organizer
  日本物理学会
- Invited
- Data Source
  KAKENHI-PROJECT-17H00758
[Presentation] Y添加BaZrO3中におけるプロトン伝導の微視的描像2018
- Author(s)
  豊浦和明，孟維杰，韓東麟，宇田哲也
- Organizer
  第44回固体イオニクス討論会
- Data Source
  KAKENHI-PROJECT-17H04948
[Presentation] 第一原理計算と機械学習に基づいた固体内イオン伝導の高効率評価手法の開発2018
- Author(s)
  豊浦和明，服部和樹，世古敦人，本多淳也，金森研太，竹内一郎
- Organizer
  日本セラミックス協会2018年年会
- Data Source
  KAKENHI-PROJECT-17H04948
[Presentation] A first-principles study on proton trapping in yttrium-doped barium zirconate2018
- Author(s)
  Kazuaki Toyoura, Weijie Meng, Tetsuya Uda
- Organizer
  19th Solid State Protonic Conductors
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H04948
[Presentation] ガウス過程の導関数に基づく極小点の同定のための能動学習2018
- Author(s)
  稲津佑，椙田大輔，豊浦和明，竹内一郎
- Organizer
  第21回情報論的学習理論ワークショップ (IBIS2018)
- Data Source
  KAKENHI-PROJECT-17H00758
[Presentation] Y添加BaZrO3におけるプロトントラッピング効果の第一原理解析2018
- Author(s)
  豊浦和明，孟維杰，宇田哲也
- Organizer
  日本セラミックス協会第31回秋季シンポジウム
- Data Source
  KAKENHI-PROJECT-17H04948
[Presentation] ガウス過程に基づくPESサンプリングと経路探索アルゴリズムによる原子拡散・イオン伝導の高効率評価手法の開発2017
- Author(s)
  豊浦和明，金森研太，世古敦人，本多淳也，竹内一郎
- Organizer
  日本金属学会2017年秋期講演大会
- Data Source
  KAKENHI-PROJECT-17H04948
[Presentation] ペロブスカイト型酸化物のプロトン伝導性と結晶学的対称性2017
- Author(s)
  服部和樹，豊浦和明，宇田哲也
- Organizer
  第 43 回固体イオニクス討論会
- Data Source
  KAKENHI-PROJECT-17H04948
[Presentation] 第一原理計算によるイオン伝導経路探索と燃料電池材料への応用2016
- Author(s)
  豊浦和明
- Organizer
  日本金属学会東海支部・日本鉄鋼協会東海支部主催平成27年度学術討論会
- Place of Presentation
  名古屋大学
- Year and Date
  2016-01-19
- Invited
- Data Source
  KAKENHI-PROJECT-15K14123
[Presentation] A first-principles study on proton and hydroxide-ion conduction in acceptor- and donor-dopped tin pyrophosphoate2016
- Author(s)
  Kazuaki Toyoura, Junya Terasaka, Atsutomo Nakamura, and Katsuyuki Matsunaga
- Organizer
  The 5 th International Symposium on Advanced Microscopy and Theoretical Calculations
- Place of Presentation
  Nagoya, Japan
- Year and Date
  2016-05-11
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K14123
[Presentation] Correlation between Ionic Conduction and Crystal Structures in Proton-Conducting Oxides -A First-Principles Study2015
- Author(s)
  K. Toyoura, A. Nakamura, K. Matsunaga
- Organizer
  2nd International Symposium on Frontiers in Materials Science (FMS2015)
- Place of Presentation
  Tokyo
- Year and Date
  2015-11-19
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106002
[Presentation] Theoretical Investigation on Atomic Structures and Bonding of Noble Metal Atoms on TiO2(110) Surface2015
- Author(s)
  K. Matsunaga, T. Yuan Chang, R. Ishikawa, K. Toyoura, A. Nakamura, Y. Ikuhara, N. Shibata
- Organizer
  The 11th International Conference of Pacific Rim Ceramic Societies(PacRim-11)
- Place of Presentation
  Jeju Island, Korea
- Year and Date
  2015-08-30
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106002
[Presentation] Theoretical investigations on atomic-scale conduction mechanism of interstitial oxygen ions in apatite-type fast ionic conductors2015
- Author(s)
  K. Matsunaga, K. Imaizumi, S. Ishimoto, K. Toyoura, A. Nakamura
- Organizer
  11th International Conference on Ceramic Materials and Components for Energy and Environmental Applications
- Place of Presentation
  Vancouver, Canada
- Year and Date
  2015-06-14
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106002
[Presentation] First-Principlesstudy of proton incorporation and transfer mechanism in lanthanum arsenate2013
- Author(s)
  K. Toyoura, K. Matsunaga
- Organizer
  The 19th International Conference on Solid State Ionics
- Place of Presentation
  Kyoto, Japan
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] 第一原理計算による LaAsO_4 中のプロトン伝導挙動解析2013
- Author(s)
  豊浦和明,松永克志
- Organizer
  日本金属学会 2013 年春季大会
- Place of Presentation
  東京
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] Anisotropic proton diffusivity in lanthanum phosphates", 16th International Conference2012
- Author(s)
  K. Toyoura, N. Hatada, Y . Nose, K.Matsunaga, T. Uda
- Organizer
  Solid State Protonic Conductors" (SSPC16)
- Place of Presentation
  Grenoble, France
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] Anisotropic proton diffusivity in lanthanum phosphates2012
- Author(s)
  Kazuaki Toyoura
- Organizer
  the 16th edition of the Conference "Solid State Protonic Conductors"
- Place of Presentation
  Grenoble, France
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] Proton transfer mechanism in lanthanum orthophosphate2012
- Author(s)
  K. Toyoura, N. Hatada, Y . Nose, T. Uda, K.Matsunaga, I. Tanaka
- Organizer
  3rd International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC3)
- Place of Presentation
  Gifu, Japan
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] Proton transfer mechanism in lanthanum orthophosphate2012
- Author(s)
  Kazuaki Toyoura
- Organizer
  The third International Symposium on Advanced Microscopy and TheoreticalCalculations
- Place of Presentation
  Gifu, Japan
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] Proton diffusivity in lanthanum phosphates - A first principles study2012
- Author(s)
  K. Toyoura, N. Hatada, Y. Nose, T. Uda, I. Tanaka, K. Matsunaga
- Organizer
  IUMRS-ICEM 2012
- Place of Presentation
  Yokohama, Japan
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] 希土類リン酸塩中のプロトン伝導挙動解析2012
- Author(s)
  豊浦和明,松永克志,畑田直行,野瀬嘉太郎,田中功,宇田哲也
- Organizer
  日本セラミックス協会第25回秋季シンポジウム
- Place of Presentation
  名古屋
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] ランタンポリリン酸塩中の高速プロトン伝導チャネル2012
- Author(s)
  豊浦和明,畑田直行,野瀬嘉太郎,宇田哲也,松永克志
- Organizer
  第38回固体イオニクス討論会
- Place of Presentation
  京都
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] Proton diffusivity in lanthanum phosphates - A first principles study2012
- Author(s)
  Kazuaki Toyoura
- Organizer
  The IUMRS-ICEM2012
- Place of Presentation
  Yokohama, Japan
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] Bulk Crystal Growth of Chalchopyrite Semiconductors of the Zn-Cd-Sn-P System Based on the Phase Diagram2011
- Author(s)
  T. Higashino, Y. Nose, K. Toyoura, T. Uda
- Organizer
  2011 MRS Fall Meeting
- Place of Presentation
  Boston, USA
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] Correlation between crystal structures and proton conduction in lanthanum phosphates - A first principles study2011
- Author(s)
  K. Toyoura, N. Hatada, Y. Nose, and T. Uda
- Organizer
  2011 MRS Fall Meeting
- Place of Presentation
  Boston, USA
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] Preparation of ZnS Thin Film For Compound Semiconductor Solar Cells2011
- Author(s)
  K. Shunji, Y. Nose, K. Toyoura, T. Uda
- Organizer
  Fray International Symposium
- Place of Presentation
  Cancun, Mexico
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] 第一原理熱力学に基づいた La_2O_3-P_2O_5 擬二元系の相安定性2011
- Author(s)
  豊浦和明,畑田直行,野瀬嘉太郎,宇田哲也,田中功
- Organizer
  日本金属学会 2012 年春季大会
- Place of Presentation
  横浜
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] 第一原理計算を用いたイオニクス材料設計2011
- Author(s)
  豊浦和明, 宇田哲也, 桑原彰秀, 田中功, H. Fjeld, R. Haugsrud, T. Norby
- Organizer
  第7回固体イオニクスセミナー
- Place of Presentation
  富山県氷見市
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] Thermal Stability of LaP3O9 and LaP5O14 Proton Conductors2011
- Author(s)
  N. Hatada, K. Toyoura, Y. Nose, T. Uda
- Organizer
  62nd Annual Meeting of the International Society of Electrochemistry
- Place of Presentation
  Niigata, Japan
- Data Source
  KAKENHI-PROJECT-23760638
[Presentation] 第一原理計算を用いたイオニクス材料設計
- Author(s)
  豊浦和明, 宇田哲也, 桑原彰秀, 田中功, H. Fjeld, R. Haugsrud, T. Norby
- Organizer
  第7 回固体イオニクスセミナー
- Place of Presentation
  富山県氷見市
- Data Source
  KAKENHI-PROJECT-23760638

1. Matsunaga Katsuyuki (20334310)

# of Collaborated Projects: 1 results

# of Collaborated Products: 14 results
2. Takeuchi Ichiro (40335146)

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
3. Mizoguchi Teruyasu (70422334)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
4. 阿部真之 (00362666)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. 中村篤智 (20419675)

# of Collaborated Projects: 1 results

# of Collaborated Products: 15 results
6. 二宮嘉行 (50343330)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. 安河内彦輝 (60624525)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
8. 井上圭一 (90467001)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. 世古敦人 (10452319)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
10. 柴田基洋 (40780151)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
11. SHIGA Motoki

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
12. 栃木栄太

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
13. 笠松秀輔

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Toyoura Kazuaki 豊浦 和明

TOYOURA Kazuaki 豊浦 和明

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第一原理計算と機械学習を融合した多元系空間における材料探索技術の構築Principal Investigator

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Materials search for chemical heat storage by combining theoretical computational science and data sciencePrincipal Investigator

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Dominant factor analysis of ionic conduction in solids based on the spectral graph theoryPrincipal Investigator

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Computational design of functional core using informatics approaches

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Methods for selecting and testing hypothesis in big data-driven science and its demonstration in materials, biology, and medicine

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Accurate high-throuput screening for mult-icomponent ionic conductorsPrincipal Investigator

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Fast diffusion mechanism of hydroxide ions in oxidesPrincipal Investigator

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Frontier of nanometer scale structure analyses

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Materials design of proton-conducting phosphatesPrincipal Investigator

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[Book] Chapter 2, Nanoinformatics2018

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[Book] 第一原理計算 ~構造最適化に向けた材料・デバイス別事例集2012

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[Journal Article] Structure search method for atomic clusters based on the dividing rectangles algorithm,2023

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[Journal Article] Multihill strategy in metadynamics for interstitial diffusion in crystals,2023

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Toyoura Kazuaki 豊浦和明

TOYOURA Kazuaki 豊浦和明