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Updated: Jun 5, 2025

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在RMCProfile中集成机器学习的原子间潜力与混合逆蒙特卡洛结构的改进

Paul Cuillier1, Matthew G Tucker2, Yuanpeng Zhang2

  • 1Department of Materials Science and Engineering The Ohio State University Columbus OH43212 USA.

Journal of applied crystallography
|December 4, 2024
PubMed
概括

混合逆蒙特卡洛 (RMC) 模拟现在通过LAMMPS结合机器学习的原子间潜力. 这扩大了RMC的规模.

关键词:
原子间潜在的原子间潜力.机器学习是机器学习.逆转的蒙特卡洛车总的散射总量是多少

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