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Updated: Feb 18, 2026

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大規模人工知能モデルによるカタリスト材料発見の加速

Di Zhang1, Yuanzheng Chen2, Chuanyu Liu3

  • 1Advanced Institute for Materials Research (WPI-AIMR), Tohoku University, Sendai, Japan.

Angewandte Chemie (International ed. in English)
|February 17, 2026
PubMed
まとめ

人工知能 (AI) は,試行錯誤をデータ主導の方法に置き換えて,触媒発見に革命を起こしています. ユニバーサル・マシン・ラーニング・インターアトミック・ポテンシャル (MLIPs) と大型言語モデル (LLMs) を含む大規模なAIモデルは,新しい触媒の設計と予測を加速します.

キーワード:
触媒のためのAI.人工知能 (AI) についてデータサイエンスのデータ・サイエンス大規模な言語モデルがあります.機械学習は,原子間ポテンシャル,原子間ポテンシャルを学習する.

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