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J-GLOBAL ID：201901013148816727   Update date: Apr. 22, 2025

Yamashita Tomoki

Yamashita Tomoki
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Affiliation and department：
Nagaoka University of Technology

About Nagaoka University of Technology


Research field  (1)： Mathematical physics and basic theory
Research keywords  (3)： 機械学習 ,  結晶構造探索 ,  第一原理計算
Research theme for competitive and other funds  (4)：
  • 2023 - 2028 Construction of physical property correlation based on entropy and creation of new thermal control materials
  • 2021 - 2024 強化学習LAQAを用いた高効率結晶構造探索手法の開発およびソフトウェア化
  • 2018 - 2020 Development of crystal structure prediction methods using machine learning
  • 2011 - 2012 計算科学的アプローチによる半導体ナノ構造の形成および物性に関する研究
Papers (28)：
  • Stefaan S. P. Hessmann, Kristof T. Schütt, Niklas W. A. Gebauer, Michael Gastegger, Tamio Oguchi, Tomoki Yamashita. Accelerating crystal structure search through active learning with neural networks for rapid relaxations. npj Computational Materials. 2025. 11. 44-1-44-11
  • Takumi Sato, Takuma Otani, Shogo Nakamori, Futoshi Utsuno, Tsuyoshi HONMA, Tomoki Yamashita. Crystal structure prediction of Li4xMg2(1-x)P2O7 by first-principles calculations. Japanese Journal of Applied Physics. 2024. 63. 7. 075503
  • Shogo Nakamori, Tsuyoshi Honma, Takumi Sato, Tomoki Yamashita, Futoshi Utsuno. Formation of metastable phase during crystallization of lithium magnesium pyrophosphate glass. Journal of Non-Crystalline Solids. 2024. 637. 123042-123042
  • Tomoki Yamashita, Hirotaka Sekine. Improvement of look ahead based on quadratic approximation for crystal structure prediction. Science and Technology of Advanced Materials: Methods. 2022. 2. 1. 84-90
  • Tomoki Yamashita, Hiori Kino, Koji Tsuda, Takashi Miyake, Tamio Oguchi. Hybrid algorithm of Bayesian optimization and evolutionary algorithm in crystal structure prediction. Science and Technology of Advanced Materials: Methods. 2022. 2. 1. 67-74
ｍore...
Books (2)：
  • マテリアルズインフォマティクス = Materials informatics
    共立出版 2022 ISBN:9784320072022
  • マテリアルズ・インフォマティクス開発事例最前線
    エヌ・ティー・エス 2021 ISBN:9784860437084
Lectures and oral presentations  (12)：
  • 溶融急冷による塩化物リチウムイオン伝導体Li2MgCl4の合成
    (第34回日本MRS年次大会 2024)
  • Cu2Sn1-xGexS3における欠陥形成エネルギーの第一原理計算
    (第34回日本MRS年次大会 2024)
  • 進化的アルゴリズムとクラスター展開を用いたLixCa1-xCl2-xの結晶構造探索
    (第34回日本MRS年次大会 2024)
  • First-principles study of point defects in Cu2Sn0.5Ge0.5S3 and Cu2SnS
    (The 25th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-25) 2024)
  • Structural Stability of LixCa1-xCl2-x Using Evolutionary Algorithm and Cluster Expansion
    (The 25th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-25) 2024)
ｍore...
Association Membership(s) (3)：
応用物理学会 ,  日本物理学会 ,  日本MRS
※ Researcher’s information displayed in J-GLOBAL is based on the information registered in researchmap. For details, see here.

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