King Chun Lai1, Patricia Poths1, Sebastian Matera1

  • 1Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany.

PubMed
概括

一个自动过程探索器 (APE) 框架使用机器学习来发现新的低障碍扩散过程. 这显著增强了动力蒙特卡洛 (kMC) 模拟,揭示了以前被忽视的原子机制.

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