Kyoto University Graduate School of Engineering, Deprtment of Materical Science and Engineering, Graduate School of Engineering Department of Materials Science and Engineering
About Kyoto University Graduate School of Engineering, Deprtment of Materical Science and Engineering, Graduate School of Engineering Department of Materials Science and Engineering
Research field (2):
Inorganic materials
, Metallic materials
Research keywords (3):
fundamental materials science
, Computational Materials Science
, materials informatics
Research theme for competitive and other funds (53):
2021 - 2025 広大な化学組成空間からの新しい高イオン伝導体の創出と指導原理の獲得
2019 - 2022 Data-driven exploration of novel inorganic compounds
2018 - 2021 Materials informatics from first-principles calculation
2017 - 2021 In silico design, synthesis, and device fabrication of novel nitride semiconductors
2018 - 2019 ナノ構造情報のフロンティア開拓-材料科学の新展開
2015 - 2018 Exploration of nanostructure-property relationships for materials innovation
2015 - 2018 Materials informatics from first-principles
2013 - 2018 Exploration of nanostructure - property relationships for materials innovation
2013 - 2018 Exploration of nanostructure-property relationships for materials innovation
2013 - 2018 Exploration of nanostructure-property relationships
2014 - 2017 第一原理計算による複合ペロブスカイト酸化物材料の定量設計
2014 - 2016 Development of local atomic environment analysis method through core exciton spectra
2013 - 2015 多重強秩序を示す溶質元素添加ビスマス鉄酸化物の第一原理計算と材料設計
2012 - 2014 First principles investigation of high ionic conductivity in ionic crystals
2011 - 2014 Structure and phase stability of alloys based on systematic first principles thermodynamics calculations
2012 - 2013 バナジウム酸化物V3O5の電子構造と格子振動
2007 - 2012 Nano Materials Science for Atomic Scale Modification
2007 - 2011 Atomic scale modification from first-principles thermodynamics
2008 - 2010 First principles thermodynamics in nonstoichiometric oxides
2007 - 2008 X線吸収スペクトルの第一原理法による理論的検討
2007 - 2007 酸化チタンへの水素修飾効果の第一原理熱力学
2006 - 2007 First-principles thermodynamical calculations and experimental confirmation of the phase diagrams of ceramic systems
2004 - 2005 Computational design and fabrication of novel functional materials based on tin oxide
2000 - 2004 局在量子構造に基づいた新しい材料機能創出技術の構築
2000 - 2004 局在量子構造探求のための研究基盤の体系化
1999 - 2004 イオニクス素子の全固体化にむけた基礎研究
2002 - 2003 Materials design and development of new spinel silicon nitrides
2002 - 2003 Development of ab-initio software for interpretation of electronic spectra
2001 - 2003 Chemical reaction control in nano-area by radiation -transformation of radiation physics to radiation chemistry -
1999 - 2003 全固体イオニクス素子の量子材料設計
2002 - 第一原理熱力学計算の新展開
2002 - First principles thermodynamics
2000 - 2001 Quantitative evaluation of vacancy formation energy in metal oxides
1999 - 1999 イオニクス素子の全固体化にむけた基礎研究
1998 - 1999 Electronic states of metalloid-clusters in solids
1998 - 1999 Grain boundary bondings in ceramics by spatially resolved EELS
1997 - 1999 The Structure of Poly-molybdate Ions and It's Relevance to the Electroplating of Molybdenum Alloy
1999 - エネルギー変換、貯蔵材料の基礎科学
1999 - Fundamental study on energy conversion and storage materials
1997 - 1997 セラミックス界面不純物の化学結合論-クラスター法による理論計算-
1996 - 1997 Microscopic characterization of metallic materials by the combination of DV-Xalpha calculation and model experiments.
1996 - 1996 Theoretical calculation and experimental investigation of interganular van-der Waals forces in ceramics
1995 - 1996 Development of a computer software for design and characterization of new materials on the basis of first principles calculations
1995 - 1995 窒化ケイ素セラミックスの粒界ガラス相の性状と高温強度
1994 - 1994 窒化ケイ素セラミックスの熱処理による耐熱・強靱化過程
1991 - 1993 Development of Ceramic Based Nanocomposites with High Toughness and Strength at High Temperatures
1991 - 1992 セラミックナノコンポジットの界面構造制御による新機能付与
1991 - 1992 ANALYSIS OF COMBUSTION SYNTHESIS PROCESS
1991 - 1991 セラミックナノコポジットの界面構造制御による新機能付与
機能性材料の電子状態
セラミックス材料の量子設計
Elementary processes of mechanical properties of ceramic materials
Material design of ceramics from first principles.
Show all
Papers (512):
Atsushi Togo, Laurent Chaput, Terumasa Tadano, Isao Tanaka. Implementation strategies in phonopy and phono3py. Journal of Physics: Condensed Matter. 2023
Atsushi Togo, Hiroyuki Hayashi, Terumasa Tadano, Satoshi Tsutsui, Isao Tanaka. LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering measurements and first principles calculations. JOURNAL OF PHYSICS-CONDENSED MATTER. 2022. 34. 36
Hiroyuki Hayashi, Yuta Morimitsu, Ikko Tatsumi, Isao Tanaka. Coordination polymers as precursors of simple and complex oxides. INTERNATIONAL JOURNAL OF APPLIED CERAMIC TECHNOLOGY. 2022
Hiroyuki Hayashi, Keita Kouzai, Yuta Morimitsu, Isao Tanaka. Synthesis-condition recommender system discovers novel inorganic oxides. JOURNAL OF THE AMERICAN CERAMIC SOCIETY. 2022. 105. 2. 853-861
First-Principles Study of LaNi<sub>5</sub>-H Solid Solutions and its Hydrides
Proceedings of 4th Pacific Rim International Conference on Advanced Materials and Processing(Japan Institute of Metals, Sendai),pp. 445-448 2001
Relativistic Multiplet Calculations of Absorption Spectra for Rare-Earth-Based Solid-State Laser Materials
Proceedings of 4th Pacific Rim International Conference on Advanced Materials and Processing (Japan Institute of Metals, Sendai),pp. 583-586 2001
Interaction of Co Impurities and Native Defects in ZnO
Proceedings of 4th Pacific Rim International Conference on Advanced Materials and Processing (Japan Institute of Metals, Sendai),pp. 555-558 2001
First Principles Calculations of Oxygen-Vacancies in Oxides
Proceedings of 4th Pacific Rim International Conference on Advanced Materials and Processing (Japan Institute of Metals, Sendai),pp. 545-548 2001
Migration Energy of lithium Ions by First Principles Calculations
Proceedings of 4th Pacific Rim International Conference on Advanced Materials and Processing (Japan Institute of Metals, Sendai),pp. 587-590 2001
1984 - 1987 Osaka University Graduate School of Engineering Science
1982 - 1984 Kyoto University Graduate School of Engineering
1978 - 1982 Kyoto University Faculty of Engineering Metal Science and Technology
Professional career (1):
Doctor of Engineering (Osaka University)
Committee career (2):
世界セラミックス・アカデミー Academician
American Ceramics Society Fellow, Journal Associate Editor
Awards (11):
2020/10 - 服部報公会 報公賞
2020/03 - 日本金属学会 谷川・ハリス賞
2018/05 - The Honda Memorial Foundation Honda Frontier Award
2018/03 - The Japan Institute of Metals and Materials Masumoto Hakaru Award
2017/04 - Ministry of Education, Culture, Sports, Science and Technology Science and Technology Award
2016/06 - The Ceramic Society of Japan Awards for academic achievements in ceramic science and technology
2012/01 - Institute of Metal Research, Chinese Academy of Sciences Lee Hsun Lecture award
2008/06 - Federal Republic of Germany Philipp Franz von Siebold-Preis
2005 - Romanian Science Academy Dragomir Hurmuzescu Award
2004 - The Japan Institute of Metals Meritorious Award
2004 - American Ceramics Society Richard M. Fulrath Award
Show all
Association Membership(s) (6):
The Iron and Steel Institute of Japan
, Materials Research Society
, The Ceramics Society of Japan
, The Japan Institute of Metals
, World Academy of Ceramics
, The American Ceramics Society