弥合差距:使用机器学习力场来模拟黄金断裂连接点,以拉动速度更接近实验

William Bro-Jørgensen1, Joseph M Hamill1, Davide Donadio2

  • 1Department of Chemistry and Nano-Science Center, University of Copenhagen, Copenhagen Ø DK-2100, Denmark.

ACS nano
|November 13, 2025
PubMed
概括

机器学习力场揭示了金纳米线连接的复杂行为,与经典模型不同. 这些先进的模拟将实验和模拟时间尺度相结合,用于准确的分子结合研究.

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