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Updated: Sep 9, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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バイナリ LJ 流体の説明可能な ML モデル

Israrul H Hashmi1, Rahul Karmakar1,2, Marripelli Maniteja1

  • 1Department of Chemical Engineering, Indian Institute of Technology Madras Chennai, TN, 600036, India. tpatra@iitm.ac.in.

Soft matter
|August 29, 2025
PubMed
まとめ

機械学習は,二次レナード・ジョーンズ (LJ) 流体の放射分布関数を正確に予測します. このモデルは微細構造を効果的に捉え 粒子の大きさの比率を示しますが 新しい物理学の限界があります

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