Seko, Atsuto(Graduate School of Engineering, Division of Materials Science and Engineering) | Activity Database on Education and Research, Kyoto University

Seko, Atsuto

Graduate School of Engineering, Division of Materials Science and Engineering Associate Professor

Last Updated :2025/04/28

Basic Information

Faculty

Faculty of Engineering

Academic Degree

修士（工学）(京都大学)

博士（工学）(京都大学)

ID,URL

J-Global ID
201401006917280475
External link
http://cms.mtl.kyoto-u.ac.jp/seko.html

Website(s) (URL(s))

http://cms.mtl.kyoto-u.ac.jp/seko.html

researchmap URL

https://researchmap.jp/7000008660

Last Updated :2025/04/28

Research

Papers

Structure and lattice thermal conductivity of grain boundaries in silicon by using machine learning potential and molecular dynamics
Susumu Fujii; Atsuto Seko
COMPUTATIONAL MATERIALS SCIENCE, Mar. 2022, Peer-reviewed

第一原理計算と機械学習による原子間相互作用のモデリングと構造探索
世古敦人
応用物理, Feb. 2022, Peer-reviewed
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Finding well-optimized special quasirandom structures with decision diagram
Kohei Shinohara; Atsuto Seko; Takashi Horiyama; Isao Tanaka
PHYSICAL REVIEW MATERIALS, Nov. 2021, Peer-reviewed
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Combination of recommender system and single-particle diagnosis for accelerated discovery of novel nitrides
Yukinori Koyama; Atsuto Seko; Isao Tanaka; Shiro Funahashi; Naoto Hirosaki
JOURNAL OF CHEMICAL PHYSICS, Jun. 2021, Peer-reviewed

Application of machine learning potentials to predict grain boundary properties in fcc elemental metals
Takayuki Nishiyama; Atsuto Seko; Isao Tanaka
PHYSICAL REVIEW MATERIALS, Dec. 2020, Peer-reviewed

Machine learning potentials for multicomponent systems: The Ti-Al binary system
Atsuto Seko
PHYSICAL REVIEW B, Nov. 2020, Peer-reviewed
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Enumeration of nonequivalent substitutional structures using advanced data structure of binary decision diagram
Kohei Shinohara; Atsuto Seko; Takashi Horiyama; Masakazu Ishihata; Junya Honda; Isao Tanaka
JOURNAL OF CHEMICAL PHYSICS, Sep. 2020, Peer-reviewed

Fast material search of lithium ion conducting oxides using a recommender system
Kota Suzuki; Kosei Ohura; Atsuto Seko; Yudai Iwamizu; Guowei Zhao; Masaaki Hirayama; Isao Tanaka; Ryoji Kanno
JOURNAL OF MATERIALS CHEMISTRY A, Jun. 2020, Peer-reviewed

マテリアルズインフォマティクスによる新材料の開拓
田中功; 世古敦人; 林博之; 東後篤史
現代化学 = Chemistry today, May 2020, Peer-reviewed

Prediction of perovskite-related structures in ACuO(3-x) (A = Ca, Sr, Ba, Sc, Y, La) using density functional theory and Bayesian optimization
Atsuto Seko; Shintaro Ishiwata
PHYSICAL REVIEW B, Apr. 2020, Peer-reviewed
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Recommender System of Successful Processing Conditions for New Compounds Based on a Parallel Experimental Data Set
Hiroyuki Hayashi; Katsuyuki Hayashi; Keita Kouzai; Atsuto Seko; Isao Tanaka
CHEMISTRY OF MATERIALS, Dec. 2019, Peer-reviewed

Group-theoretical high-order rotational invariants for structural representations: Application to linearized machine learning interatomic potential
Atsuto Seko; Atsushi Togo; Isao Tanaka
PHYSICAL REVIEW B, Jun. 2019, Peer-reviewed
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Temperature-dependent phonon spectra of magnetic random solid solutions
Yuji Ikeda; Fritz Körmann; Biswanath Dutta; Abel Carreras; Atsuto Seko; Jörg Neugebauer; Isao Tanaka
npj Computational Materials, 01 Dec. 2018
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Compositional descriptor-based recommender system for the materials discovery
Atsuto Seko; Hiroyuki Hayashi; Isao Tanaka
Journal of Chemical Physics, 28 Jun. 2018

Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power
Akira Takahashi; Atsuto Seko; Isao Tanaka
Journal of Chemical Physics, 21 Jun. 2018

Exploring a potential energy surface by machine learning for characterizing atomic transport
Kanamori, Kenta; Toyoura, Kazuaki; Honda, Junya; Hattori, Kazuki; Seko, Atsuto; Karasuyama, Masayuki; Shitara, Kazuki; Shiga, Motoki; Kuwabara, Akihide; Takeuchi, Ichiro
PHYSICAL REVIEW B, Mar. 2018, Peer-reviewed

材料科学データにおける機械学習の応用
世古敦人
日本物理学会講演概要集, Jan. 2018, Peer-reviewed

Matrix- and tensor-based recommender systems for the discovery of currently unknown inorganic compounds
Atsuto Seko; Hiroyuki Hayashi; Hisashi Kashima; Isao Tanaka
PHYSICAL REVIEW MATERIALS, Jan. 2018

結晶化合物の物性予測のための原子間距離情報に基づくカーネル設計
秋田大空; 馬場雪乃; 鹿島久嗣; 世古敦人
JSAI大会論文集, Jan. 2018

Conceptual and practical bases for the high accuracy of machine learning interatomic potentials: Application to elemental titanium
Akira Takahashi; Atsuto Seko; Isao Tanaka
PHYSICAL REVIEW MATERIALS, Nov. 2017

Theoretical investigation of solid solution states of Ti1-xVxH2
Noriko Otani; Akihide Kuwabara; Takafumi Ogawa; Junko Matsuda; Atsuto Seko; Isao Tanaka; Etsuo Akiba
ACTA MATERIALIA, Aug. 2017

First-Principles Selection of Solute Elements for Er-Stabilized Bi2O3 Oxide-Ion Conductor with Improved Long-Term Stability at Moderate Temperatures
Kazuki Shitara; Takafumi Moriasa; Akifumi Sumitani; Atsuto Seko; Hiroyuki Hayashi; Yukinori Koyama; Rong Huang; Donglin Han; Hiroki Moriwake; Isao Tanaka
CHEMISTRY OF MATERIALS, Apr. 2017

Representation of compounds for machine-learning prediction of physical properties
Atsuto Seko; Hiroyuki Hayashi; Keita Nakayama; Akira Takahashi; Isao Tanaka
PHYSICAL REVIEW B, Apr. 2017

Mode decomposition based on crystallographic symmetry in the band-unfolding method
Yuji Ikeda; Abel Carreras; Atsuto Seko; Atsushi Togo; Isao Tanaka
PHYSICAL REVIEW B, Jan. 2017

第一原理計算と機械学習を用いた材料物性予測 (第一原理からの物性シミュレーション特集号) -- (材料物性とインフォマティクス)
世古敦人; 田中功
固体物理, Jan. 2017

Prediction model of band gap for inorganic compounds by combination of density functional theory calculations and machine learning techniques
Joohwi Lee; Atsuto Seko; Kazuki Shitara; Keita Nakayama; Isao Tanaka
PHYSICAL REVIEW B, Mar. 2016, Peer-reviewed

Machine-learning-based selective sampling procedure for identifying the low-energy region in a potential energy surface: A case study on proton conduction in oxides
Kazuaki Toyoura; Daisuke Hirano; Atsuto Seko; Motoki Shiga; Akihide Kuwabara; Masayuki Karasuyama; Kazuki Shitara; Ichiro Takeuchi
PHYSICAL REVIEW B, Feb. 2016, Peer-reviewed

マテリアルズ・インフォマティクスに基づいた材料および機能探索
田中功; 世古敦人; 森分博紀
Fine ceramics report, Jan. 2016

Estimating Proton Conductivity in Crystals by using Guassian Process and Dynamic Programming
金森研太; 豊浦和明; 中島伸一; 世古敦人; 烏山昌幸; 桑原彰秀; 本多淳也; 設楽和希; 志賀元紀; 竹内一郎
電子情報通信学会技術研究報告 = IEICE technical report : 信学技報, Jan. 2016

Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization
Atsuto Seko; Atsushi Togo; Hiroyuki Hayashi; Koji Tsuda; Laurent Chaput; Isao Tanaka
PHYSICAL REVIEW LETTERS, Nov. 2015, Peer-reviewed
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First-principles interatomic potentials for ten elemental metals via compressed sensing
Atsuto Seko; Akira Takahashi; Isao Tanaka
PHYSICAL REVIEW B, Aug. 2015, Peer-reviewed
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Applications of machine learning techniques in materials science based on systematic density-functional calculations
SEKO Atsuto; TANAKA Isao
電子情報通信学会技術研究報告. IBISML, 情報論的学習理論と機械学習, Jan. 2015, Peer-reviewed

Selective sampling by using Gaussian Process and its application to material science
平野大輔; 豊浦和明; 世古敦人
電子情報通信学会技術研究報告 = IEICE technical report : 信学技報, Jan. 2015

Special quasirandom structure in heterovalent ionic systems
Atsuto Seko; Isao Tanaka
PHYSICAL REVIEW B, Jan. 2015
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23pAJ-4 Materials Informatics with first principles
Tanaka I.; Seko A.; Togo A.
Meeting Abstracts of the Physical Society of Japan, Jan. 2015, Peer-reviewed

Materials Informatics : Present and Future
田中功; 世古敦人
Ceramics Japan = セラミックス : bulletin of the Ceramic Society of Japan, Jan. 2015, Peer-reviewed

Toward materials discovery with first-principles datasets and learning methods
Isao Tanaka; Atsuto Seko
Springer Series in Materials Science, 2015, Peer-reviewed

Efficient determination of alloy ground-state structures
Atsuto Seko; Kazuki Shitara; Isao Tanaka
PHYSICAL REVIEW B, Nov. 2014
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Phonon softening in paramagnetic bcc Fe and its relationship to the pressure-induced phase transition
Yuji Ikeda; Atsuto Seko; Atsushi Togo; Isao Tanaka
PHYSICAL REVIEW B, Oct. 2014

Sparse representation for a potential energy surface
Atsuto Seko; Akira Takahashi; Isao Tanaka
PHYSICAL REVIEW B, Jul. 2014, Peer-reviewed

Cluster expansion of multicomponent ionic systems with controlled accuracy: importance of long-range interactions in heterovalent ionic systems
Atsuto Seko; Isao Tanaka
JOURNAL OF PHYSICS-CONDENSED MATTER, Mar. 2014, Peer-reviewed
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Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solids
Atsuto Seko; Tomoya Maekawa; Koji Tsuda; Isao Tanaka
Physical Review B - Condensed Matter and Materials Physics, 18 Feb. 2014, Peer-reviewed
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マルチタスク学習を用いた複数物性値の同時予測(統計数理・機械学習・データマイニング・一般)
岩瀬智亮; 世古敦人; 鹿島久嗣
電子情報通信学会技術研究報告. IBISML, 情報論的学習理論と機械学習, Jan. 2014

マルチタスク学習を用いた複数物性値の同時予測 (情報論的学習理論と機械学習)
岩瀬智亮; 世古敦人; 鹿島久嗣
電子情報通信学会技術研究報告 = IEICE technical report : 信学技報, Jan. 2014

Accelerated Materials Design of Lithium Superionic Conductors Based on First-Principles Calculations and Machine Learning Algorithms
Koji Fujimura; Atsuto Seko; Yukinori Koyama; Akihide Kuwabara; Ippei Kishida; Kazuki Shitara; Craig A. J. Fisher; Hiroki Moriwake; Isao Tanaka
ADVANCED ENERGY MATERIALS, Aug. 2013, Peer-reviewed

Theoretical Photovoltaic Conversion Efficiencies of ZnSnP2, CdSnP2, and Zn1-xCdxSnP2 Alloys
Tomoyasu Yokoyama; Fumiyasu Oba; Atsuto Seko; Hiroyuki Hayashi; Yoshitaro Nose; Isao Tanaka
APPLIED PHYSICS EXPRESS, Jun. 2013, Peer-reviewed

Cluster expansion with controlled accuracy for the MgO/ZnO pseudobinary system via first-principles calculations
Bin Liu; Atsuto Seko; Isao Tanaka
PHYSICAL REVIEW B, Dec. 2012, Peer-reviewed

First-principles molecular dynamics study for average structure and oxygen diffusivity at high temperature in cubic Bi2O3
Atsuto Seko; Yukinori Koyama; Akifumi Matsumoto; Isao Tanaka
JOURNAL OF PHYSICS-CONDENSED MATTER, Nov. 2012, Peer-reviewed

First-Principles Thermodynamic Calculation of Phase Stability with Controlled Accuracy
SEKO Atsuto
Bulletin of the Japan Institute of Metals, Jan. 2012, Peer-reviewed

Calculation of phase stability from first principles thermodynamics with controlled accuracy
世古敦人
水曜会誌, Jan. 2012

First-principles calculations of the phase diagrams and band gaps in CuInSe2-CuGaSe2 and CuInSe2-CuAlSe2 pseudobinary systems
Yu Kumagai; Yoshito Soda; Fumiyasu Oba; Atsuto Seko; Isao Tanaka
PHYSICAL REVIEW B, Jan. 2012, Peer-reviewed
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Ground-state search in multicomponent magnetic systems
Yu Kumagai; Atsuto Seko; Fumiyasu Oba; Isao Tanaka
PHYSICAL REVIEW B, Jan. 2012, Peer-reviewed
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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 (特集材料設計ソリューションの開発・利用の現状と課題) -- (先端研究開発動向)
田中功; 世古敦人; 大場史康
工業材料, Jan. 2012, Peer-reviewed

第一原理熱力学計算によるセラミックス材料の相平衡 (特集機能元素が拓く新しいセラミックス材料の世界)
世古敦人; 大場史康; 熊谷悠
Ceramics Japan : Bulletin of the Ceramic Society of Japan, Jan. 2012, Peer-reviewed

Calculation of Phase Stability from First Principles Thermodynamics
SEKO Atsuto; OBA Fumiyasu; KUMAGAI Yu; TANAKA Isao
Ceramics Japan : Bulletin of the Ceramic Society of Japan, Jan. 2012, Peer-reviewed

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 (特集セラミックス計算材料設計の進展)
田中功; 東後篤史; 世古敦人
セラミックス, Jun. 2011

Grouping of structures for cluster expansion of multicomponent systems with controlled accuracy
Atsuto Seko; Isao Tanaka
PHYSICAL REVIEW B, Jun. 2011, Peer-reviewed
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Native defects in oxide semiconductors: a density functional approach
Fumiyasu Oba; Minseok Choi; Atsushi Togo; Atsuto Seko; Isao Tanaka
JOURNAL OF PHYSICS-CONDENSED MATTER, Sep. 2010, Peer-reviewed
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Phase relationships and structures of inorganic crystals by a combination of the cluster expansion method and first principles calculations
Isao Tanaka; Atsuto Seko; Atsushi Togo; Yukinori Koyama; Fumiyasu Oba
JOURNAL OF PHYSICS-CONDENSED MATTER, Sep. 2010, Peer-reviewed
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Classification of spinel structures based on first-principles cluster expansion analysis
Atsuto Seko; Fumiyasu Oba; Isao Tanaka
PHYSICAL REVIEW B, Feb. 2010, Peer-reviewed
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クラスター展開法を用いた相平衡の理論計算 (特集状態図の第一原理熱力学計算--現状と展望)
世古敦人; 田中功
金属, Jan. 2010

Thermodynamics and structures of oxide crystals by a systematic set of first principles calculations
Isao Tanaka; Atsushi Togo; Atsuto Seko; Fumiyasu Oba; Yukinori Koyama; Akihide Kuwabara
JOURNAL OF MATERIALS CHEMISTRY, 2010, Peer-reviewed
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Cluster expansion method for multicomponent systems based on optimal selection of structures for density-functional theory calculations
Atsuto Seko; Yukinori Koyama; Isao Tanaka
PHYSICAL REVIEW B, Oct. 2009, Peer-reviewed
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First principles calculations of advanced nitrides, oxides and alloys
Isao Tanaka; Akihide Kuwabara; Koretaka Yuge; Atsuto Seko; Fumiyasu Oba; Katsuyuki Matsunaga
Key Engineering Materials, 2009, Peer-reviewed

First-principles-based phase diagram of the cubic BNC ternary system
Koretaka Yuge; Atsuto Seko; Yukinori Koyama; Fumiyasu Oba; Isao Tanaka
PHYSICAL REVIEW B, Mar. 2008, Peer-reviewed
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Structure and stability of a homologous series of tin oxides
Atsuto Seko; Atsushi Togo; Fumiyasu Oba; Isao Tanaka
PHYSICAL REVIEW LETTERS, Feb. 2008, Peer-reviewed
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X-ray absorption near-edge structures of disordered Mg1-x Znx O solid solutions
Teruyasu Mizoguchi; Atsuto Seko; Masato Yoshiya; Hisao Yoshida; Tomoko Yoshida; W. Y. Ching; Isao Tanaka
Physical Review B - Condensed Matter and Materials Physics, 28 Nov. 2007, Peer-reviewed
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Ordering and segregation of a Cu75Pt25(111) surface: A first-principles cluster expansion study
Koretaka Yuge; Atsuto Seko; Akihide Kuwabara; Fumiyasu Oba; Isao Tanaka
PHYSICAL REVIEW B, Jul. 2007, Peer-reviewed
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First-principles study of bulk ordering and surface segregation in Pt-Rh binary alloys
Koretaka Yuge; Atsuto Seko; Akihide Kuwabara; Fumiyasu Oba; Isao Tanaka
PHYSICAL REVIEW B, Nov. 2006, Peer-reviewed
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Prediction of ground-state structures and order-disorder phase transitions in II-III spinel oxides: A combined cluster-expansion method and first-principles study
Atsuto Seko; Koretaka Yuge; Fumiyasu Oba; Akihide Kuwabara; Isao Tanaka
PHYSICAL REVIEW B, May 2006, Peer-reviewed
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First-principles study of cation disordering in MgAl2O4 spinel with cluster expansion and Monte Carlo simulation
Atsuto Seko; Koretaka Yuge; Fumiyasu Oba; Akihide Kuwabara; Isao Tanaka; Tomoyuki Yamamoto
PHYSICAL REVIEW B, Mar. 2006, Peer-reviewed
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First-principles study of the effect of lattice vibrations on Cu nucleation free energy in Fe-Cu alloys
K Yuge; A Seko; I Tanaka; SR Nishitani
PHYSICAL REVIEW B, Nov. 2005
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Pressure-induced phase transition in ZnO and ZnO-MgO pseudobinary system: A first-principles lattice dynamics study
A Seko; F Oba; A Kuwabara; Tanaka, I
PHYSICAL REVIEW B, Jul. 2005, Peer-reviewed

First principles calculation of free energy on precipitate nucleation
A Seko; Nishitani, SR; Tanaka, I; H Adachi
JOURNAL OF THE JAPAN INSTITUTE OF METALS, Dec. 2004
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Free-energy calculation of precipitate nucleation in an Fe-Cu-Ni alloy
A Seko; N Odagaki; Nishitani, SR; Tanaka, I; H Adachi
MATERIALS TRANSACTIONS, Jul. 2004
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First-principles calculation on free energy of precipitate nucleation
A Seko; Nishitani, SR; Tanaka, I; H Adachi; EF Fujita
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, Jun. 2004
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Misc.

Nano-Structure Analysis and Materials Design of Ceramics through First Principles Calculations : A Study on Tin Oxides
TANAKA Isao; SEKO Atsuto; TOGO Atsushi; OBA Fumiyasu; MATSUNAGA Katsuyuki
Ceramics Japan, 01 Sep. 2009, Peer-reviewed

26pYK-3 Anharmonic Effects on Pressure-Temperature Phase Diagram of ZnO : A First-Principles Molecular Dynamics Study
Takahashi Yuji; Seko Atsuto; Tanaka Isao
Meeting abstracts of the Physical Society of Japan, 18 Aug. 2009

First Principles Thermodynamics Calculations of Atomic Scale Modifications
TANAKA Isao; SEKO Atsuto; YUGE Koretaka; KOYAMA Yukinori; OBA Fumiyasu; MATSUNAGA Katsuyuki
Bulletin of the Japan Institute of Metals, 01 Jun. 2009, Peer-reviewed

30aRF-12 Anharmonic vibration effects of the pressure induced wurtzite to rocksalt phase transition of ZnO
高橋祐二; 世古敦人; 田中功
Meeting abstracts of the Physical Society of Japan, 03 Mar. 2009

First principle calculations of nucleation free energy change for BCCCu precipitates in Fe-Cu system
Shigeto R. Nishitani; Atsuto Seko; Isao Tanaka; Hirohiko Adachi; Eiichi F. Fujita
Solid-Solid Phase Transformations in Inorganic Material 2005, Vol 2, 2005, Peer-reviewed

Awards

08 Nov. 2011
日本金属学会, 日本金属学会奨励賞

External funds: Kakenhi

Computational design of functional core using informatics approaches
Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
Science and Engineering
The University of Tokyo
溝口照康
From 28 Jun. 2019, To 31 Mar. 2024, Granted
機能コア;界面;表面;転位;機械学習;透過型電子顕微鏡;情報科学;シミュレーション;ナノ計測;インフォマティックス
https://kaken.nii.ac.jp/grant/KAKENHI-PLANNED-19H05787/

Materials design using first principles calculations and machine learning
Grant-in-Aid for Scientific Research (B)
Basic Section 26010:Metallic material properties-related
Kyoto University
Atsuto Seko
From 01 Apr. 2019, To 31 Mar. 2022, Project Closed
機械学習;第一原理計算;結晶構造探索;原子間ポテンシャル;構造探索;転移学習;材料インフォマティクス;原子間ポテンシャル
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-19H02419/

Recommender system for discovering new inorganic compounds
Grant-in-Aid for Challenging Research (Exploratory)
Medium-sized Section 26:Materials engineering and related fields
Kyoto University
Atsuto Seko
From 29 Jun. 2018, To 31 Mar. 2020, Project Closed
推薦システム;無機化合物;機械学習;新規化合物;結晶化学;データベース;固体化学
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-18K18942/

Procedure for constructing machine learning interatomic potentials
Grant-in-Aid for Scientific Research (B)
Kyoto University
Atsuto Seko
From 01 Apr. 2015, To 31 Mar. 2018, Project Closed
機械学習;原子間ポテンシャル;分子動力学;回帰分析;第一原理計算;線形回帰
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-15H04116/

Materials informatics from first-principles
Grant-in-Aid for Scientific Research (A)
Kyoto University
Isao Tanaka
From 01 Apr. 2015, To 31 Mar. 2018, Project Closed
第一原理計算;データサイエンス;2次電池正極材料;材料探索;統計熱力学計算;機械学習;結晶構造記述子
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-15H02286/

Exploration of nanostructure-property relationships
Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
Science and Engineering
Kyoto University
Isao Tanaka
From 28 Jun. 2013, To 31 Mar. 2018, Project Closed
ナノ構造情報;第一原理計算;データマイニング
https://kaken.nii.ac.jp/grant/KAKENHI-PLANNED-25106005/

First principles investigation of high ionic conductivity in ionic crystals
Grant-in-Aid for Challenging Exploratory Research
Kyoto University
Isao TANAKA
From 01 Apr. 2012, To 31 Mar. 2014, Project Closed
第一原理計算;高イオン伝導結晶;酸化物固溶体;統計熱力学;分子動力学法
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-24656370/

First principles thermodynamics calculation with controlled accuracy in multicomponent systems
Grant-in-Aid for Young Scientists (A)
Kyoto University
Atsuto SEKO
From 01 Apr. 2011, To 31 Mar. 2013, Project Closed
第一原理計算;状態図;セラミックス;長距離相互作用;クラスター展開法;熱力学;統計力学
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23686090/

Structure and phase stability of alloys based on systematic first principles thermodynamics calculations
Grant-in-Aid for Scientific Research (A)
Kyoto University
Isao TANAKA
From 01 Apr. 2011, To 31 Mar. 2014, Project Closed
第一原理計算;セラミックス固溶体;平衡状態図;熱力学;統計力学
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23246111/

Development of methodologies for determination of stable structures in non-closed packed oxides
Grant-in-Aid for Young Scientists (B)
Kyoto University
Atsuto SEKO
From 01 Apr. 2008, To 31 Mar. 2010, Project Closed
第一原理計算;平衡状態図;結晶構造;セラミックス;データマイニング;状態図
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-20760439/

First principles thermodynamics in nonstoichiometric oxides
Grant-in-Aid for Scientific Research (A)
Kyoto University
Isao TANAKA
From 01 Apr. 2008, To 31 Mar. 2011, Project Closed
酸化物;ノンストイキオメトリ;第一原理計算;熱力学;統計力学
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-20246095/

Machine learning potentials and their applications to crystal structure search
Grant-in-Aid for Scientific Research (B)
Basic Section 26010:Metallic material properties-related
Kyoto University
世古敦人
From 01 Apr. 2022, To 31 Mar. 2025, Granted
大域的構造探索;機械学習ポテンシャル;結晶構造探索;第一原理計算;機械学習;原子間ポテンシャル;構造探索
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-22H01756/

Machine learning potentials and their applications to crystal structure search
Grant-in-Aid for Scientific Research (B)
Basic Section 26010:Metallic material properties-related
Kyoto University
世古敦人
From 01 Apr. 2022, To 31 Mar. 2025, Granted
第一原理計算;機械学習;原子間ポテンシャル;構造探索;大域的構造探索;機械学習ポテンシャル;結晶構造探索
https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23K23024/

Last Updated :2025/04/28

Education

Teaching subject(s)

From 01 Apr. 2024, To 31 Mar. 2025
Introduction to Polymer Materials
5200, Spring, Faculty of Engineering, 2

From 01 Apr. 2024, To 31 Mar. 2025
Electronic Structures of Inorganic Materials 2
5166, Fall, Faculty of Engineering, 2

From 01 Apr. 2024, To 31 Mar. 2025
Introduction to Engineering Science B
5111, Spring, Faculty of Engineering, 2

From 01 Apr. 2024, To 31 Mar. 2025
Ceramic Materials Science
C267, Fall, Graduate School of Engineering, 2

From 01 Apr. 2024, To 31 Mar. 2025
Graduation Thesis2
5998, Spring, Faculty of Engineering, 6

From 01 Apr. 2024, To 31 Mar. 2025
Graduation Thesis2
5998, Fall, Faculty of Engineering, 6

From 01 Apr. 2024, To 31 Mar. 2025
Graduation Thesis1
5995, Spring, Faculty of Engineering, 4

From 01 Apr. 2024, To 31 Mar. 2025
Graduation Thesis1
5995, Fall, Faculty of Engineering, 4

From 01 Apr. 2023, To 31 Mar. 2024
Introduction to Engineering Science B
5111, Fall, Faculty of Engineering, 2

From 01 Apr. 2023, To 31 Mar. 2024
Introduction to Polymer Materials
5200, Spring, Faculty of Engineering, 2

From 01 Apr. 2023, To 31 Mar. 2024
Electronic Structures of Inorganic Materials 2
5166, Fall, Faculty of Engineering, 2

From 01 Apr. 2023, To 31 Mar. 2024
Ceramic Materials Science
C267, Fall, Graduate School of Engineering, 2

From 01 Apr. 2022, To 31 Mar. 2023
Ceramic Materials Science
C267, Fall, Graduate School of Engineering, 2

From 01 Apr. 2022, To 31 Mar. 2023
Introduction to Engineering Science B
5111, Spring, Faculty of Engineering, 2

From 01 Apr. 2022, To 31 Mar. 2023
Electronic Structures of Inorganic Materials 2
5166, Fall, Faculty of Engineering, 2

From Apr. 2012, To Mar. 2013
Exercises in Information Processing Basics
Spring, 工学部

From Apr. 2014, To Mar. 2015
Practice of Basic Informatics(Faculty of Engineering)
Spring, 全学共通科目

From Apr. 2015, To Mar. 2016
Electronic Structures of Inorganic Materials 2
Fall, 工学部

From Apr. 2016, To Mar. 2017
Ceramic Materials Science
Fall, 工学研究科

From Apr. 2016, To Mar. 2017
Electronic Structures of Inorganic Materials 2
Fall, 工学部

From Apr. 2017, To Mar. 2018
Ceramic Materials Science
Fall, 工学研究科

From Apr. 2017, To Mar. 2018
Electronic Structures of Inorganic Materials 2
Fall, 工学部

From Apr. 2018, To Mar. 2019
Ceramic Materials Science
Fall, 工学研究科

From Apr. 2018, To Mar. 2019
Electronic Structures of Inorganic Materials 2
Fall, 工学部

From Apr. 2019, To Mar. 2020
Ceramic Materials Science
Fall, 工学研究科

From Apr. 2019, To Mar. 2020
Introduction to Engineering Science B
Fall, 工学部

From Apr. 2019, To Mar. 2020
Electronic Structures of Inorganic Materials 2
Fall, 工学部

From Apr. 2020, To Mar. 2021
Ceramic Materials Science
Fall, 工学研究科

From Apr. 2020, To Mar. 2021
Introduction to Engineering Science B
Spring, 工学部

From Apr. 2020, To Mar. 2021
Introduction to Engineering Science B
Spring, 工学部

From Apr. 2020, To Mar. 2021
Electronic Structures of Inorganic Materials 2
Fall, 工学部

From Apr. 2021, To Mar. 2022
Ceramic Materials Science
Fall, 工学研究科

From Apr. 2021, To Mar. 2022
Introduction to Engineering Science B
Fall, 工学部

From Apr. 2021, To Mar. 2022
Introduction to Engineering Science B
Fall, 工学部

From Apr. 2021, To Mar. 2022
Electronic Structures of Inorganic Materials 2
Fall, 工学部

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