Seko Atsuto 世古敦人

… Alternative Names

SEKO Atsuto 世古敦人

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Researcher Number	10452319
Other IDs
Affiliation (Current)	2025: 京都大学, 工学研究科, 教授
Affiliation (based on the past Project Information) *help	2016 – 2025: 京都大学, 工学研究科, 准教授 2017: 京都大学, 大学院工学研究科, 准教授 2015: 京都大学, 工学(系)研究科(研究院), 准教授 2013: 京都大学, 大学院工学研究科, 助教 2012: 京都大学, 大学院・工学研究科, 助教 … More 2012: 京都大学, 工学(系)研究科(研究院), 助教 2011: 京都大学, 工学研究科, 助教 2010: 京都大学, 大学院・工学研究科, 助教 2008 – 2010: Kyoto University, 次世代開拓研究ユニット, 助教 Less
Review Section/Research Field	Principal Investigator Basic Section 26010:Metallic material properties-related / Medium-sized Section 26:Materials engineering and related fields / Physical properties of metals / Physical properties of metals/Metal-base materials Except Principal Investigator Physical properties of metals / Science and Engineering / Broad Section D / Physical properties of metals/Metal-base materials
Keywords	Principal Investigator 第一原理計算 / 機械学習 / 原子間ポテンシャル / 構造探索 / 結晶構造探索 / 状態図 / セラミックス / 機械学習ポテンシャル / 大域的構造探索 / 原子間ポテンシャル … More / 材料インフォマティクス / 転移学習 / 固体化学 / データベース / 結晶化学 / 新規化合物 / 無機化合物 / 推薦システム / 線形回帰 / 回帰分析 / 分子動力学 / 統計力学 / 熱力学 / クラスター展開法 / 長距離相互作用 / データマイニング / 結晶構造 / 平衡状態図 … More Except Principal Investigator 第一原理計算 / 機械学習 / 統計力学 / 熱力学 / 遷移金属酸化物 / 強相関電子系 / スピントロニクス / 高圧合成 / 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 / 結晶構造記述子 / 統計熱力学計算 / 材料探索 / 2次電池正極材料 / データサイエンス / データマイニング / ナノ構造情報 / 分子動力学法 / 統計熱力学 / 酸化物固溶体 / 高イオン伝導結晶 / 平衡状態図 / セラミックス固溶体 / ノンストイキオメトリ / 酸化物 Less

Comprehensive exploration of metastable strongly correlated materials as post-spintronics
- Principal Investigator
  
  石渡晋太郎
- Project Period (FY)
  2025 – 2029
- Research Category
  
  Grant-in-Aid for Scientific Research (S)
- Review Section
  
  Broad Section D
- Research Institution
  The University of Osaka
第一原理計算と機械学習による革新的な新物質探索手法の開発Principal Investigator
- Principal Investigator
  
  世古敦人
- Project Period (FY)
  2025 – 2026
- Research Category
  
  Grant-in-Aid for Challenging Research (Exploratory)
- Review Section
  
  Medium-sized Section 26:Materials engineering and related fields
- Research Institution
  Kyoto University
Machine learning potentials and their applications to crystal structure searchPrincipal Investigator
- Principal Investigator
  
  世古敦人
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26010:Metallic material properties-related
- Research Institution
  Kyoto University
Materials design using first principles calculations and machine learningPrincipal Investigator
- Principal Investigator
  
  Seko Atsuto
- Project Period (FY)
  2019 – 2021
- 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
Recommender system for discovering new inorganic compoundsPrincipal Investigator
- Principal Investigator
  
  Seko Atsuto
- Project Period (FY)
  2018 – 2019
- Research Category
  
  Grant-in-Aid for Challenging Research (Exploratory)
- Review Section
  
  Medium-sized Section 26:Materials engineering and related fields
- Research Institution
  Kyoto University
Procedure for constructing machine learning interatomic potentialsPrincipal Investigator
- Principal Investigator
  
  Seko Atsuto
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Physical properties of metals/Metal-base materials
- Research Institution
  Kyoto University
Materials informatics from first-principles
- Principal Investigator
  
  Tanaka Isao
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Physical properties of metals/Metal-base materials
- Research Institution
  Kyoto University
Exploration of nanostructure-property relationships
- Principal Investigator
  
  Tanaka Isao
- 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
  Kyoto University
First principles investigation of high ionic conductivity in ionic crystals
- Principal Investigator
  
  TANAKA Isao
- Project Period (FY)
  2012 – 2013
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Physical properties of metals
- Research Institution
  Kyoto University
Structure and phase stability of alloys based on systematic first principles thermodynamics calculations
- Principal Investigator
  
  TANAKA Isao
- Project Period (FY)
  2011 – 2013
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Physical properties of metals
- Research Institution
  Kyoto University
First principles thermodynamics calculation with controlled accuracy in multicomponent systemsPrincipal Investigator
- Principal Investigator
  
  SEKO Atsuto
- Project Period (FY)
  2011 – 2012
- Research Category
  
  Grant-in-Aid for Young Scientists (A)
- Research Field
  
  Physical properties of metals
- Research Institution
  Kyoto University
First principles thermodynamics in nonstoichiometric oxides
- Principal Investigator
  
  TANAKA Isao
- Project Period (FY)
  2008 – 2010
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Physical properties of metals
- Research Institution
  Kyoto University
Development of methodologies for determination of stable structures in non-closed packed oxidesPrincipal Investigator
- Principal Investigator
  
  SEKO Atsuto
- Project Period (FY)
  2008 – 2009
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical properties of metals
- Research Institution
  Kyoto University

[Book] Recommender Systems for Materials Discovery in “Machine Learning Meets Quantum Physics2020
- Author(s)
  A. Seko, H. Hayashi, H. Kashima, and I. Tanaka
- Total Pages
  467
- Publisher
  Springer
- ISBN
  9783030402457
- Data Source
  KAKENHI-PLANNED-19H05787
[Journal Article] Global structure optimization following imaginary phonon modes accelerated by machine learning potentials in Cu, Ag, and Au2023
- Author(s)
  Naruse Takuya、Seko Atsuto、Tanaka Isao
- Journal Title
  
  J. Ceram. Soc. Japan
  
  Volume: 131 Issue: 10 Pages: 746-750
- DOI
  10.2109/jcersj2.23056
- ISSN
  1348-6535, 1882-0743
- Year and Date
  2023-10-01
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22KJ1982, KAKENHI-PLANNED-19H05787, KAKENHI-PROJECT-23K23024
[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] Efficient global crystal structure prediction using polynomial machine learning potential in the binary Al–Cu alloy system2023
- Author(s)
  H. Wakai, A. Seko, I. Tanaka
- Journal Title
  
  J. Ceram. Soc. Japan
  
  Volume: 131 Issue: 10 Pages: 762-766
- DOI
  10.2109/jcersj2.23053
- ISSN
  1348-6535, 1882-0743
- Year and Date
  2023-10-01
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19H05787, KAKENHI-PROJECT-23K23024
[Journal Article] Tutorial: Systematic development of polynomial machine learning potentials for elemental and alloy systems2023
- Author(s)
  Seko Atsuto
- Journal Title
  
  Journal of Applied Physics
  
  Volume: 133 Issue: 1 Pages: 011101-011101
- DOI
  10.1063/5.0129045
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23024, KAKENHI-PLANNED-19H05787
[Journal Article] Modeling of materials and its applications using density functional theory calculation and machine learning2022
- Author(s)
  世古敦人
- Journal Title
  
  Oyo Buturi
  
  Volume: 91 Issue: 2 Pages: 77-81
- DOI
  10.11470/oubutsu.91.2_77
- NAID
  130008149721
- ISSN
  0369-8009, 2188-2290
- Year and Date
  2022-02-01
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19H02419, 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] Structure and lattice thermal conductivity of grain boundaries in silicon by using machine learning potential and molecular dynamics2022
- Author(s)
  Susumu Fujii, Atsuto Seko
- Journal Title
  
  Computational Materials Science
  
  Volume: 204 Pages: 111137-111137
- DOI
  10.1016/j.commatsci.2021.111137
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PUBLICLY-20H05195, KAKENHI-PROJECT-19H02419, KAKENHI-PROJECT-20K15034, KAKENHI-PLANNED-19H05787
[Journal Article] Finding well-optimized special quasirandom structures with decision diagram2021
- Author(s)
  Shinohara Kohei、Seko Atsuto、Horiyama Takashi、Tanaka Isao
- Journal Title
  
  Physical Review Materials
  
  Volume: 5 Issue: 11 Pages: 113803-113803
- DOI
  10.1103/physrevmaterials.5.113803
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19H02419, KAKENHI-PROJECT-21J10712, KAKENHI-PLANNED-20H05964, KAKENHI-PROJECT-20H00605, KAKENHI-PLANNED-19H05787
[Journal Article] Prediction of perovskite-related structures in ACuO3-x (A = Ca, Sr, Ba, Sc, Y, La) using density functional theory and Bayesian optimization2020
- Author(s)
  A. Seko and S. Ishiwata
- Journal Title
  
  Phys. Rev. B
  
  Volume: 101 Issue: 13 Pages: 134101-134101
- DOI
  10.1103/physrevb.101.134101
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17H01195, KAKENHI-PLANNED-19H05787, KAKENHI-PROJECT-19H02419
[Journal Article] Fast material search of lithium ion conducting oxides using a recommender system2020
- Author(s)
  Suzuki Kota、Ohura Kosei、Seko Atsuto、Iwamizu Yudai、Zhao Guowei、Hirayama Masaaki、Tanaka Isao、Kanno Ryoji
- Journal Title
  
  Journal of Materials Chemistry A
  
  Volume: 8 Issue: 23 Pages: 11582-11588
- DOI
  10.1039/d0ta02556a
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-19H05787, KAKENHI-PROJECT-17H06145
[Journal Article] Application of machine learning potentials to predict grain boundary properties in fcc elemental metals2020
- Author(s)
  Takayuki Nishiyama, Atsuto Seko, and Isao Tanaka
- Journal Title
  
  Phys. Rev. Materials
  
  Volume: 4 Issue: 12 Pages: 123607-123607
- DOI
  10.1103/physrevmaterials.4.123607
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K22054, KAKENHI-PLANNED-19H05787, KAKENHI-PROJECT-18H03843, KAKENHI-PROJECT-19H02419
[Journal Article] Machine learning potentials for multicomponent systems: The Ti-Al binary system2020
- Author(s)
  Seko Atsuto
- Journal Title
  
  Physical Review B
  
  Volume: 102 Issue: 17 Pages: 174104-174104
- DOI
  10.1103/physrevb.102.174104
- NAID
  120006898049
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-19H05787, KAKENHI-PROJECT-19H02419
[Journal Article] Enumeration of nonequivalent substitutional structures using advanced data structure of binary decision diagram2020
- Author(s)
  Shinohara Kohei、Seko Atsuto、Horiyama Takashi、Ishihata Masakazu、Honda Junya、Tanaka Isao
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 153 Issue: 10 Pages: 104109-104109
- DOI
  10.1063/5.0021663
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-19H05787, KAKENHI-PROJECT-19H02419, KAKENHI-PROJECT-18K11153
[Journal Article] Recommender System of Successful Processing Conditions for New Compounds Based on a Parallel Experimental Data Set2019
- Author(s)
  Hayashi Hiroyuki、Hayashi Katsuyuki、Kouzai Keita、Seko Atsuto、Tanaka Isao
- Journal Title
  
  Chemistry of Materials
  
  Volume: 31 Issue: 24 Pages: 9984-9992
- DOI
  10.1021/acs.chemmater.9b01799
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K18942
[Journal Article] Group-theoretical high-order rotational invariants for structural representations: Application to linearized machine learning interatomic potential2019
- Author(s)
  Seko Atsuto、Togo Atsushi、Tanaka Isao
- Journal Title
  
  Physical Review B
  
  Volume: 99 Issue: 21 Pages: 214108-214108
- DOI
  10.1103/physrevb.99.214108
- NAID
  120006767915
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19H02419
[Journal Article] Progress in nanoinformatics and informational materials science2018
- Author(s)
  A. Seko, K. Toyoura, S. Muto, T. Mizoguchi and S. Broderick
- Journal Title
  
  MRS Bulletin
  
  Volume: 43
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K18942
[Journal Article] Temperature-dependent phonon spectra of magnetic random solid solutions2018
- Author(s)
  Ikeda, Y, Kormann, F, Dutta, B, Carreras, A, Seko, A, Neugebauer, J and Tanaka, I
- Journal Title
  
  NPJ COMPUTATIONAL MATERIALS
  
  Volume: 4 Issue: 1 Pages: 7-7
- DOI
  10.1038/s41524-018-0063-1
- NAID
  120006523830
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-16K18228
[Journal Article] Matrix- and tensor-based recommender systems for the discovery of currently unknown inorganic compounds2018
- Author(s)
  Seko, A, Hayashi, H, Kashima, H and Tanaka, I
- Journal Title
  
  PHYSICAL REVIEW MATERIALS
  
  Volume: 2-1 Issue: 1 Pages: 013805-013805
- DOI
  10.1103/physrevmaterials.2.013805
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-15H01704
[Journal Article] Conceptual and practical bases for the high accuracy of machine learning interatomic potentials: Application to elemental titanium2017
- Author(s)
  Takahashi, A, Seko, A and Tanaka, I
- Journal Title
  
  PHYSICAL REVIEW MATERIALS
  
  Volume: 1-6 Issue: 6 Pages: 063801-063801
- DOI
  10.1103/physrevmaterials.1.063801
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-15H04116
[Journal Article] Representation of compounds for machine-learning prediction of physical properties2017
- Author(s)
  Atsuto Seko, Hiroyuki Hayashi, Keita Nakayama, Akira Takahashi, Isao Tanaka
- Journal Title
  
  Phys. Rev. B
  
  Volume: 95 Issue: 14 Pages: 144110-144110
- DOI
  10.1103/physrevb.95.144110
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15H04116
[Journal Article] First-Principles Selection of Solute Elements for Er-Stabilized Bi2O3 Oxide-Ion Conductor with Improved Long-Term Stability at Moderate Temperatures2017
- Author(s)
  Shitara, K, Moriasa, T, Sumitani, A, Seko, A, Hayashi, H, Koyama, Y, Huang, R, Han, DL, Moriwake, H and Tanaka I
- Journal Title
  
  CHEMISTRY OF MATERIALS
  
  Volume: 29-8 Issue: 8 Pages: 3763-3768
- DOI
  10.1021/acs.chemmater.7b00846
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106005, KAKENHI-PLANNED-25106008, KAKENHI-PROJECT-15H02286
[Journal Article] Special quasirandom structure in heterovalent ionic systems2015
- Author(s)
  Seko, A. and Tanaka, I.
- Journal Title
  
  PHYSICAL REVIEW B
  
  Volume: 91 Issue: 2 Pages: 024106-024106
- DOI
  10.1103/physrevb.91.024106
- NAID
  120005539356
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25106005
[Journal Article] First-principles interatomic potentials for ten elemental metals via compressed sensing2015
- Author(s)
  Seko, A., Takahashi, A. and Tanaka, I.
- Journal Title
  
  PHYSICAL REVIEW B
  
  Volume: 92 Issue: 5 Pages: 054113-054113
- DOI
  10.1103/physrevb.92.054113
- NAID
  120005690126
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-15H02286, KAKENHI-PROJECT-15H04116, KAKENHI-PROJECT-15J07315
[Journal Article] Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization2015
- Author(s)
  Atsuto Seko, Atsushi Togo, Hiroyuki Hayashi, Koji Tsuda, Laurent Chaput, Isao Tanaka
- Journal Title
  
  Physical Review Letters
  
  Volume: 115 Issue: 20 Pages: 205901-205901
- DOI
  10.1103/physrevlett.115.205901
- NAID
  120005670878
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-24106010, KAKENHI-PLANNED-25106005, KAKENHI-PROJECT-15H02286, KAKENHI-PROJECT-26820284
[Journal Article] Machine learning with systematic density-functional theory calculations : Application to melting temperatures of single- and binary-component solids2014
- Author(s)
  Seko, Atsuto; Maekawa, Tomoya ; Tsuda, Koji and Tanaka, Isao
- Journal Title
  
  Physical Review B
  
  Volume: Vol.89 Issue: 5 Pages: 54303-54303
- DOI
  10.1103/physrevb.89.054303
- NAID
  120005466623
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23246111, KAKENHI-PLANNED-24106010, KAKENHI-PLANNED-25106005
[Journal Article] Cluster expansion of multicomponent ionic systems with controlled accuracy: importance of long-range interactions in heterovalent ionic systems2014
- Author(s)
  Atsuko Seko and Isao Tanaka
- Journal Title
  
  JOURNAL OF PHYSICS-CONDENSED MATTER
  
  Volume: 26 Issue: 11 Pages: 115403-115403
- DOI
  10.1088/0953-8984/26/11/115403
- NAID
  120005624355
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106005
[Journal Article] Sparse representation for a potential energy surface2014
- Author(s)
  Atsuto Seko, Akira Takahashi and Isao Tanaka
- Journal Title
  
  PHYSICAL REVIEW B
  
  Volume: 90 Issue: 2 Pages: 024101-1
- DOI
  10.1103/physrevb.90.024101
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106005
[Journal Article] Efficient determination of alloy ground-state structures2014
- Author(s)
  A. Seko, K. Shitara, and I. Tanaka
- Journal Title
  
  Phys. Rev. B
  
  Volume: 90 Issue: 17 Pages: 174104-174104
- DOI
  10.1103/physrevb.90.174104
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-12J02608, KAKENHI-PLANNED-25106005
[Journal Article] Accelerated Materials Design of Lithium Superionic Conductors Based on First-Principles Calculations and Machine Learning Algorithms2013
- Author(s)
  Fujimura, Koji; Seko, Atsuto; Koyama, Yukinori; et al.
- Journal Title
  
  Advanced Energy Materials
  
  Volume: 3 Issue: 8 Pages: 980-985
- DOI
  10.1002/aenm.201300060
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23246111, KAKENHI-PROJECT-23686090, KAKENHI-PROJECT-24656370
[Journal Article] Accelerated Materials Design of Lithium Superionic Conductors Based on First-Principles Calculations and Machine Learning Algorithms2013
- Author(s)
  Fujimura, Koji; Seko, Atsuto; Koyama, Yukinori; Kuwabara, Akihide; Kishida, Ippei; Shitara, Kazuki; Fisher, Craig A. J.; Moriwake, Hiroki and Tanaka, Isao
- Journal Title
  
  Advanced Energy Materials
  
  Volume: Vol.3 Pages: 980-985
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-24656370
[Journal Article] Structure and dynamics of oxide crystals at high temperatures by first principles calculations2012
- Author(s)
  I. Tanaka, A. Seko, Y. Koyama and A. Togo
- Journal Title
  
  AMTC Letters
  
  Volume: 3 Pages: 98-99
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23686090
[Journal Article] First-principles calculations of the phase diagrams and band gaps in CuInSe_2-CuGaSe_2 and CuInSe_2-CuAlSe_2 pseudobinary systems2012
- Author(s)
  Y. Kumagai, Y. Soda, F. Oba, A. Sekoand I. Tanaka
- Journal Title
  
  Phys. Rev. B
  
  Volume: 85
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23686090
[Journal Article] First-principles calculations of the phase diagrams and band gaps in CuInSe_2-CuGaSe_2 and CuAlSe_2-CuAlSe_2 pseudobinary systems2012
- Author(s)
  Y.Kumagai, Y.Soda, F.Oba, A.Seko, I.Tanaka
- Journal Title
  
  PHYS.REV.B
  
  Volume: 85 Issue: 3 Pages: 1-4
- DOI
  10.1103/physrevb.85.033203
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19053005, KAKENHI-PROJECT-23686089, KAKENHI-PROJECT-23686090
[Journal Article] 高精度第一原理計算に基づいたマテリアルズ・インフォマティクスの展開2012
- Author(s)
  田中功, 世古敦人,大場史康,東後篤史
- Journal Title
  
  工業材料
  
  Volume: 60 Pages: 23-26
- Data Source
  KAKENHI-PROJECT-23686090
[Journal Article] First-principles molecular dynamics study for average structure and oxygen diffusivity at high temperature in cubic Bi2O32012
- Author(s)
  A. Seko, Y. Koyama, A. Matsumoto and I. Tanaka
- Journal Title
  
  J. Phys.: Condens. Matter
  
  Volume: 24 Issue: 47 Pages: 475402-475402
- DOI
  10.1088/0953-8984/24/47/475402
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23686090, KAKENHI-PROJECT-24656370
[Journal Article] 第一原理熱力学に基づいた相平衡の高精度計算2012
- Author(s)
  世古敦人
- Journal Title
  
  まてりあ
  
  Volume: 51 Pages: 258-261
- NAID
  10030630699
- Data Source
  KAKENHI-PROJECT-23686090
[Journal Article] Ground-state search in multicomponent magnetic systems2012
- Author(s)
  Y. Kumagai, A. Seko, F. Oba and I. Tanaka
- Journal Title
  
  Phys. Rev. B
  
  Volume: 85
- NAID
  120006528333
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23686090
[Journal Article] Ground-state search in multicomponent magnetic systems2012
- Author(s)
  Y.Kumagai, A.Seko, F.Oba, I.Tanaka
- Journal Title
  
  PHYS.REV.B
  
  Volume: 85 Issue: 1 Pages: 1-4
- DOI
  10.1103/physrevb.85.012401
- NAID
  120006528333
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19053005, KAKENHI-PROJECT-23246111, KAKENHI-PROJECT-23686089, KAKENHI-PROJECT-23686090
[Journal Article] First-principles molecular dynamics study for average structure and oxygen diffusivity at high temperature in cubic Bi_2O_32012
- Author(s)
  A. Seko, Y. Koyama, A. Matsumoto and I. Tanaka
- Journal Title
  
  J. Phys.: Condens. Matter
  
  Volume: 24
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23686090
[Journal Article] Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary system via first-principles calculations2012
- Author(s)
  B. Liu, A. Seko and I. Tanaka
- Journal Title
  
  Phys. Rev. B
  
  Volume: 86
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23686090
[Journal Article] Grouping of structures in cluster expansion of multicomponent systems2012
- Author(s)
  A. Seko and I. Tanaka
- Journal Title
  
  AMTC Letters
  
  Volume: 3 Pages: 114-115
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23686090
[Journal Article] 第一原理熱力学計算によるセラミックス材料の相平衡2012
- Author(s)
  世古敦人,熊谷悠,大場史康,田中功
- Journal Title
  
  セラミックス
  
  Volume: 47 Pages: 494-499
- NAID
  10031155570
- Data Source
  KAKENHI-PROJECT-23686090
[Journal Article] 高精度第一原理計算に基づいた定量的な材料予測-マテリアルズ・インフォマティクスの展開2011
- Author(s)
  田中功,東後篤史,世古敦人
- Journal Title
  
  セラミックス
  
  Volume: 46 Pages: 450-455
- NAID
  10030199971
- Data Source
  KAKENHI-PROJECT-23686090
[Journal Article] Grouping of structures for cluster expansion of multicomponent systems with controlled accuracy2011
- Author(s)
  A. Seko and I. Tanaka
- Journal Title
  
  Phys. Rev. B
  
  Volume: 83
- NAID
  120003338840
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23686090
[Journal Article] Grouping of structures for cluster expans ion of multicomponent systems with controlled accuracy2011
- Author(s)
  世古敦人, 田中功
- Journal Title
  
  Physical Review B
  
  Volume: 83 Issue: 22
- DOI
  10.1103/physrevb.83.224111
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23246111, KAKENHI-PROJECT-23686090
[Journal Article] Native defects in oxide semiconductors : A density functional approach2010
- Author(s)
  F.Oba, M.Choi, A.Togo, A.Seko, I.Tanaka
- Journal Title
  
  J.Phys.: Condens.Matter
  
  Volume: 22
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20246095
[Journal Article] Exploring structures and phase relationships of ceramics from first principles2010
- Author(s)
  世古敦人
- Journal Title
  
  Journal of the American Ceramic Society (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20760439
[Journal Article] Phase relationships and structures of inorganic crystals by combination of cluster expansion method and first principles calculations2010
- Author(s)
  田中功, 世古敦人, 東後篤史, 小山幸典, 大場史康
- Journal Title
  
  J. Phys.: Condens. Matter
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20760439
[Journal Article] Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations2010
- Author(s)
  I.Tanaka, A.Togo, A.Seko, F.Oba, Y.Koyama, A.Kuwabara
- Journal Title
  
  J.Mater.Chem.
  
  Volume: 20 Pages: 10335-10344
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20246095
[Journal Article] Native defects in oxide semiconductors : A density functional approach.2010
- Author(s)
  F.Oba, M.Choi, A.Togo, A.Seko, I.Tanaka.
- Journal Title
  
  J.Phys. : Condens.Matter Vol.22
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20246095
[Journal Article] Phase relationships and structures of inorganic crystals by combination of cluster expansion method and first princinles calculations2010
- Author(s)
  I.Tanaka, A.Seko, A.Togo, Y.Koyama, F.Oba
- Journal Title
  
  J. Phys. : Condens. Matter (In Press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20246095
[Journal Article] Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations.2010
- Author(s)
  I.Tanaka, A.Togo, A.Seko, F.Oba, Y.Koyama, A.Kuwabara.
- Journal Title
  
  J.Mater.Chem. Vol.20
  
  Pages: 10335-10344
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20246095
[Journal Article] Phase relationships and structures of inorganic crystals by combination of cluster expansion method and first principles2010
- Author(s)
  田中功, 世古敦人, 東後篤史, 小山幸典, 大場史康
- Journal Title
  
  Journal of Physics : Condensed Matter (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20760439
[Journal Article] Classification of spinel structures based on first-principles cluster expansion analysis2010
- Author(s)
  世古敦人, 大場史康, 田中功
- Journal Title
  
  Phys. Rev. B Vol.81
  
  Pages: 54114-54114
- NAID
  120003477786
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20760439
[Journal Article] Phase relationships and structures of inorganic crystals by combination of cluster expansion method and first principles calculations2010
- Author(s)
  I.Tanaka, A.Seko, A.Togo, Y.Koyama, F.Oba.
- Journal Title
  
  Journal of Physics-Condensed Matter Vol.22
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20246095
[Journal Article] Exploring structures and phase relationships of ceramics from first principles2010
- Author(s)
  世古敦人
- Journal Title
  
  J. Am. Ceram. Soc. Vol.93
  
  Pages: 1201-1214
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20760439
[Journal Article] Classification of spinel structures based on first-principles cluster expansion analysis2010
- Author(s)
  世古敦人, 大場史康, 田中功
- Journal Title
  
  Physical Review B 81
  
  Pages: 0541141-7
- NAID
  120003477786
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20760439
[Journal Article] Cluster expansion method for multicomponent systems based on optimal selection of structures for density-functional theory calculations2009
- Author(s)
  世古敦人, 小山幸典, 田中功
- Journal Title
  
  Phys. Rev. B Vol.80
  
  Pages: 165122-165122
- NAID
  120001815260
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20760439
[Journal Article] Cluster expansion method for multicomponent systems based on optimal selection of structures for density-functional theory2009
- Author(s)
  世古敦人, 小山幸典, 田中功
- Journal Title
  
  Physical Review B 80
  
  Pages: 1651221-7
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20760439
[Journal Article] Accelerated materials design of lithium superionic conductors based on first-principles calculations and machine learning algorithms
- Author(s)
  K. Fujimura, A. Seko, Y. Koyama, A. Kuwabara, I. Kishida, K. Shitara, C. A. J. Fisher, H. Moriwake and I. Tanaka
- Journal Title
  
  Adv. Energy Mater.
  
  Volume: (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23686090
[Presentation] Global structure optimization and metastable structure enumeration using polynomial machine learning potentials2024
- Author(s)
  Atsuto Seko
- Organizer
  APS March Meeting 2024
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23024
[Presentation] 機械学習ポテンシャルリポジトリの構築とその応用2023
- Author(s)
  世古敦人
- Organizer
  第194回電子セラミック・プロセス研究会
- Invited
- Data Source
  KAKENHI-PROJECT-23K23024
[Presentation] Al-Cu 系における機械学習ポテンシャルを用いた大域的結晶構造探索2023
- Author(s)
  若井颯音, 世古敦人, 田中功
- Organizer
  日本金属学会2023年秋期講演(第173回)大会
- Data Source
  KAKENHI-PROJECT-23K23024
[Presentation] 第一原理計算と機械学習を用いた無機材料のモデリングとその応用2023
- Author(s)
  世古敦人
- Organizer
  分子研研究会「イオン液体インフォマティクスの発展にむけて」
- Invited
- Data Source
  KAKENHI-PROJECT-23K23024
[Presentation] 液体状態に対する機械学習ポテンシャルの予測精度評価2023
- Author(s)
  若井颯音, 世古敦人, 伊豆田大智, 西山隆之, 田中功
- Organizer
  日本金属学会2023年秋期講演(第173回)大会
- Data Source
  KAKENHI-PROJECT-23K23024
[Presentation] 第一原理計算と機械学習を用いた原子間相互作用のモデリングと結晶構造探索2022
- Author(s)
  世古敦人
- Organizer
  セラミックス協会　年次大会
- Invited
- Data Source
  KAKENHI-PROJECT-23K23024
[Presentation] Polynomial Machine Learning Potentials and Crystal Structure Optimization Using Machine Learning2022
- Author(s)
  Atsuto Seko
- Organizer
  MMM10
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23K23024
[Presentation] 第一原理計算と機械学習を用いた原子間相互作用のモデリングと結晶構造探索2021
- Author(s)
  世古敦人
- Organizer
  MRM Forum 2021 tutorial
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19H02419
[Presentation] 第一原理計算と機械学習を用いた原子間相互作用のモデリングと結晶構造探索2021
- Author(s)
  世古敦人
- Organizer
  MRM Forum 2021 tutorial
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-19H05787
[Presentation] 第一原理計算と機械学習を用いた原子間相互作用のモデリングと結晶構造探索2021
- Author(s)
  世古敦人
- Organizer
  第5回固体化学フォーラム研究会
- Invited
- Data Source
  KAKENHI-PROJECT-19H02419
[Presentation] 第一原理計算と機械学習を用いた原子間相互作用のモデリングと結晶構造探索2021
- Author(s)
  世古敦人
- Organizer
  第5回固体化学フォーラム研究会
- Invited
- Data Source
  KAKENHI-PLANNED-19H05787
[Presentation] 第一原理計算と機械学習による原子間ポテンシャルおよび結晶構造探索2020
- Author(s)
  世古敦人
- Organizer
  日本セラミックス協会第33回秋季シンポジウム
- Data Source
  KAKENHI-PLANNED-19H05787
[Presentation] 第一原理計算と機械学習による原子間ポテンシャルおよび結晶構造探索2020
- Author(s)
  世古敦人
- Organizer
  日本セラミックス協会第33回秋季シンポジウム
- Invited
- Data Source
  KAKENHI-PROJECT-19H02419
[Presentation] 機械学習による原子間ポテンシャルおよび結晶構造探索2019
- Author(s)
  世古敦人
- Organizer
  レア・イベントの計算科学第3回ワークショップ
- Invited
- Data Source
  KAKENHI-PROJECT-19H02419
[Presentation] 第一原理計算・統計力学計算・機械学習による材料物性予測2019
- Author(s)
  世古敦人
- Organizer
  固体イオニクス討論会
- Invited
- Data Source
  KAKENHI-PROJECT-19H02419
[Presentation] Group-theoretical high-order rotational invariants: Application to linearized machine learning interatomic potential2019
- Author(s)
  Atsuto SEKO
- Organizer
  ICMAT 2019
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-19H02419
[Presentation] 材料科学データにおける機械学習の応用2018
- Author(s)
  世古敦人
- Organizer
  日本物理学会共催シンポジウム(千葉)
- Invited
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 単体金属の線形回帰ポテンシャルに対する予測精度の一般的傾向2018
- Author(s)
  世古　敦人，高橋　亮，田中　功
- Organizer
  日本金属学会春期大会（千葉）
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 大規模構造に対する線形回帰ポテンシャルの高精度化2018
- Author(s)
  近藤　大介，世古　敦人，田中　功
- Organizer
  日本金属学会春期大会（千葉）
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] Linearized machine learning interatomic potentials for metals and recommender system for the discovery of unknown materials2018
- Author(s)
  A. Seko
- Organizer
  Total Energy and Force Methods Workshop 2018 (Cambridge)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 線形回帰を用いたTiの高精度原子間ポテンシャル構築2017
- Author(s)
  高橋亮，世古敦人，田中功
- Organizer
  日本金属学会　2017年秋期講演大会
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 材料科学データに対する機械学習手法の応用2017
- Author(s)
  世古敦人
- Organizer
  加工プロセスによる材料新機能発現第176委員会第33回研究会
- Invited
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] Applications of machine learning to materials data2017
- Author(s)
  A. Seko
- Organizer
  IPAM workshop: Optimization and Optimal Control for Complex Energy and Property Landscapes (Los Angeles)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 精度保証付き線形回帰原子間ポテンシャルの構築について2017
- Author(s)
  大槻祐介，高橋亮，世古敦人，田中功
- Organizer
  日本金属学会　2017年秋期講演大会
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 行列およびテンソル分解を用いた新規無機化合物の推薦システム2017
- Author(s)
  世古　敦人
- Organizer
  日本金属学会2017年秋期講演大会
- Data Source
  KAKENHI-PLANNED-25106005
[Presentation] 角度項を用いた線形回帰ポテンシャルの構築2017
- Author(s)
  高橋亮，世古敦人，田中功
- Organizer
  日本金属学会　2017年春期講演大会
- Place of Presentation
  首都大学南大沢キャンパス
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 材料科学データに対する機械学習手法の応用2017
- Author(s)
  世古敦人
- Organizer
  情報・データ科学との連携・融合による物性物理・量子化学の新展開
- Place of Presentation
  理研AICS
- Invited
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 材料科学データにおける機械学習の応用2017
- Author(s)
  世古敦人
- Organizer
  触媒学会コンピュータの利用研究会セミナー（横浜）
- Invited
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 材料科学データに対する機械学習の応用2017
- Author(s)
  世古敦人
- Organizer
  金属学会シンポジウム「データサイエンスと材料研究開発」
- Place of Presentation
  東京
- Invited
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 線形回帰ポテンシャルによる単体金属の物性値予測2016
- Author(s)
  高橋亮，世古敦人，田中功
- Organizer
  日本金属学会　2016年秋季講演大会
- Place of Presentation
  大阪大学
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 第一原理計算と機械学習手法を使った材料物性予測2016
- Author(s)
  世古敦人
- Organizer
  第２６回格子欠陥フォーラム
- Place of Presentation
  京都市
- Invited
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] First-principles interatomic potentials via compressed sensing2016
- Author(s)
  Atsuto Seko
- Organizer
  TMS 2016
- Place of Presentation
  Nashville, USA
- Year and Date
  2016-02-18
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] Applications of Machine Learning Techniques to First-principles Data2016
- Author(s)
  Atsuto Seko
- Organizer
  ENGE 2016
- Place of Presentation
  Korea, Jeju
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 単体金属における原子間ポテンシャル関数の線形表現2016
- Author(s)
  高橋亮，世古敦人，田中功
- Organizer
  日本金属学会
- Place of Presentation
  東京理科大学
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 第一原理計算と圧縮センシングによる高精度原子間ポテンシャルの構築2015
- Author(s)
  世古敦人
- Organizer
  第6回計算統計物理学研究会
- Place of Presentation
  名古屋大学
- Year and Date
  2015-11-21
- Invited
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 第一原理計算の線形回帰による原子間ポテンシャル構築：多体間相互作用の寄与2015
- Author(s)
  高橋亮，世古敦人，田中功
- Organizer
  日本金属学会
- Place of Presentation
  九州大学
- Year and Date
  2015-09-17
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] 第一原理計算と圧縮センシングによる高精度原子間ポテンシャルの構築2015
- Author(s)
  世古敦人，高橋亮，田中功
- Organizer
  日本金属学会
- Place of Presentation
  九州大学
- Year and Date
  2015-09-17
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] First-principles interatomic potentials via compressed sensing2015
- Author(s)
  Atsuto Seko
- Organizer
  The 18th Asian Workshop on First-Principles Electronic Structure Calculations
- Place of Presentation
  東京大学
- Year and Date
  2015-11-10
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] First-principles interatomic potentials via compressed sensing2015
- Author(s)
  Atsuto Seko
- Organizer
  MRS Fall meeting 2015
- Place of Presentation
  Boston, USA
- Year and Date
  2015-12-02
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H04116
[Presentation] クラスター展開法による第一原理熱力学2013
- Author(s)
  世古敦人
- Organizer
  計算材料科学と数学の協働によるスマート材料デザイン手法の探索
- Place of Presentation
  東北大学
- Year and Date
  2013-03-13
- Data Source
  KAKENHI-PROJECT-23686090
[Presentation] クラスター展開法に基づいた第一原理熱力学計算2012
- Author(s)
  世古敦人
- Organizer
  計算材料科学のフロンティア勉強会
- Place of Presentation
  大阪府池田市
- Year and Date
  2012-03-09
- Data Source
  KAKENHI-PROJECT-23686090
[Presentation] クラスター展開法に基づいた第一原理熱力学計算2012
- Author(s)
  世古敦人
- Organizer
  物性物理学の視点からの二次電池研究
- Place of Presentation
  筑波大学
- Year and Date
  2012-10-22
- Data Source
  KAKENHI-PROJECT-23686090
[Presentation] MgAl_2O_4 スピネルにおける規則不規則現象の高精度第一原理熱力学計算2012
- Author(s)
  世古敦人
- Organizer
  日本金属学会春季大会
- Place of Presentation
  横浜市
- Year and Date
  2012-03-29
- Data Source
  KAKENHI-PROJECT-23686090
[Presentation] MgAl2O4スピネルにおける規則不規則現象の高精度第一原理熱力学計算2012
- Author(s)
  世古敦人
- Organizer
  日本金属学会春季大会
- Place of Presentation
  横浜市
- Year and Date
  2012-03-29
- Data Source
  KAKENHI-PROJECT-23686090
[Presentation] 規則構造の分類に基づいた高精度クラスター展開法による第一原理熱力学計算2011
- Author(s)
  世古敦人
- Organizer
  日本金属学会秋季大会
- Place of Presentation
  宜野湾市
- Year and Date
  2011-11-08
- Data Source
  KAKENHI-PROJECT-23686090
[Presentation] 複合酸化物における長距離クーロン相互作用を考慮した第一原理熱力学計算2011
- Author(s)
  世古敦人
- Organizer
  日本金属学会秋期大会
- Place of Presentation
  宜野湾市
- Year and Date
  2011-11-07
- Data Source
  KAKENHI-PROJECT-23686090
[Presentation] 複合酸化物における長距離クーロン相互作用を考慮した第一原理熱力学計算2011
- Author(s)
  世古敦人
- Organizer
  日本金属学会秋季大会
- Place of Presentation
  沖縄市
- Year and Date
  2011-11-07
- Data Source
  KAKENHI-PROJECT-23686090
[Presentation] 規則構造の分類に基づいた高精度クラスター展開法による第一原理熱力学計算2011
- Author(s)
  世古敦人
- Organizer
  日本金属学会春季大会
- Place of Presentation
  沖縄市
- Year and Date
  2011-11-08
- Data Source
  KAKENHI-PROJECT-23686090
[Presentation] Cluster expansion method based on optimal selection of structures for density-functional theory calculations2010
- Author(s)
  Atsuto Seko, et. al.
- Organizer
  MRS-IMRC Mexico 2010
- Place of Presentation
  Cancun, Mexico
- Year and Date
  2010-08-18
- Data Source
  KAKENHI-PROJECT-20246095
[Presentation] スピネル型酸化物における陽イオン分布の第一原理熱力学計算2010
- Author(s)
  世古敦人
- Organizer
  日本金属学会
- Place of Presentation
  つくば市
- Year and Date
  2010-03-29
- Data Source
  KAKENHI-PROJECT-20760439
[Presentation] スピネル型酸化物における陽イオン分布の第一原理熱力学計算2010
- Author(s)
  世古敦人
- Organizer
  日本金属学会春季大会
- Place of Presentation
  筑波大学
- Year and Date
  2010-03-29
- Data Source
  KAKENHI-PROJECT-20760439
[Presentation] Statistical Thermodynamics of Oxides by Combination of Cluster Expansion Method and First Principles Calculations2010
- Author(s)
  I.Tanaka, A.Seko, A.Togo, F.Oba
- Organizer
  The 2nd Int'l Symposium on Advanced Microscopy and Theoretical Calculations
- Place of Presentation
  名古屋,日本
- Year and Date
  2010-06-26
- Data Source
  KAKENHI-PROJECT-20246095
[Presentation] Cluster expansion method based on optimal selection of structures for density-functional theory calculations2010
- Author(s)
  A.Seko, Y.Koyama, I.Tanaka
- Organizer
  MRS-IMRC Mexico 2010
- Place of Presentation
  カンクン,メキシコ
- Year and Date
  2010-08-18
- Data Source
  KAKENHI-PROJECT-20246095
[Presentation] Phase Relationships of Ceramics by Combination of Cluster Expansion Method and First Principles Calculations2009
- Author(s)
  Isao Tanaka, A.Seko, F.Oba, Y.Koyama, K.Matsunaga
- Organizer
  Materials Science & Technology (MS&T'09)
- Place of Presentation
  Pittsburgh, USA
- Year and Date
  2009-10-28
- Data Source
  KAKENHI-PROJECT-20246095
[Presentation] Prediction of structures and order-disorder phase transitions of spinel oxides2009
- Author(s)
  世古敦人
- Organizer
  MS&T 09
- Place of Presentation
  Pittsburgh, USA
- Year and Date
  2009-10-26
- Data Source
  KAKENHI-PROJECT-20760439
[Presentation] 正確な誤差指標に基づいたクラスター展開法2009
- Author(s)
  世古敦人
- Organizer
  日本金属学会
- Place of Presentation
  東京工業大学
- Year and Date
  2009-03-29
- Data Source
  KAKENHI-PROJECT-20760439
[Presentation] Prediction of structures and order-disorder phase transitions of spinel oxides2009
- Author(s)
  世古敦人
- Organizer
  MS&T 09
- Place of Presentation
  ピッツバーグ, アメリカ合衆国
- Year and Date
  2009-10-26
- Data Source
  KAKENHI-PROJECT-20760439
[Presentation] 正確な誤差指標に基づいたクラスター展開法2009
- Author(s)
  世古敦人
- Organizer
  日本金属学会春季大会
- Place of Presentation
  東京工業大学
- Year and Date
  2009-03-29
- Data Source
  KAKENHI-PROJECT-20760439
[Presentation] 逆スピネル型Mg2TiO4における規則不規則転移の第一原理熱力学計算による予測2008
- Author(s)
  世古敦人
- Organizer
  日本金属学会秋期大会
- Place of Presentation
  熊本大学
- Year and Date
  2008-09-25
- Data Source
  KAKENHI-PROJECT-20760439
[Presentation] 逆スピネル型Mg_2TiO_4における規則不規則転移の第一原理熱力学計算による予測2008
- Author(s)
  世古敦人
- Organizer
  日本金属学会
- Place of Presentation
  熊本大学
- Year and Date
  2008-09-25
- Data Source
  KAKENHI-PROJECT-20760439
[Presentation] 網羅的第一原理計算と機械学習に基づいた化合物の融点予測
- Author(s)
  世古敦人
- Organizer
  2013年日本金属学会秋期大会
- Place of Presentation
  金沢市
- Data Source
  KAKENHI-PLANNED-25106005
[Presentation] Special quasirandom structureによるイオン性化合物の不規則構造エネルギー計算
- Author(s)
  世古敦人
- Organizer
  2014年日本金属学会春期大会
- Place of Presentation
  東京都
- Data Source
  KAKENHI-PLANNED-25106005

1. TANAKA Isao (70183861)

# of Collaborated Projects: 5 results

# of Collaborated Products: 23 results
2. OBA Fumiyasu (90378795)

# of Collaborated Projects: 3 results

# of Collaborated Products: 8 results
3. HAYASHI Hiroyuki (50727419)

# of Collaborated Projects: 1 results

# of Collaborated Products: 2 results
4. TOGO Atsushi (10610529)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. Mizoguchi Teruyasu (70422334)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
6. 吉矢真人 (00399601)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. 津田宏治 (90357517)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
8. 豊浦和明 (60590172)

# of Collaborated Projects: 1 results

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

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
10. 石渡晋太郎 (00525355)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
11. 野本拓也 (60804200)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. 藤井進

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Seko Atsuto 世古 敦人

SEKO Atsuto 世古 敦人

Research Projects

Research Products

Co-Researchers

Comprehensive exploration of metastable strongly correlated materials as post-spintronics

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第一原理計算と機械学習による革新的な新物質探索手法の開発Principal Investigator

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Machine learning potentials and their applications to crystal structure searchPrincipal Investigator

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Materials design using first principles calculations and machine learningPrincipal Investigator

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Computational design of functional core using informatics approaches

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Recommender system for discovering new inorganic compoundsPrincipal Investigator

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Procedure for constructing machine learning interatomic potentialsPrincipal Investigator

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Materials informatics from first-principles

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Exploration of nanostructure-property relationships

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First principles investigation of high ionic conductivity in ionic crystals

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Structure and phase stability of alloys based on systematic first principles thermodynamics calculations

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First principles thermodynamics calculation with controlled accuracy in multicomponent systemsPrincipal Investigator

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First principles thermodynamics in nonstoichiometric oxides

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Seko Atsuto 世古敦人

SEKO Atsuto 世古敦人