,

Anmol1, Anuj Kumar Sirohi2, Neha1

  • 1Department of Chemistry, Indian Institute of Technology, Delhi, Hauz Khas, New Delhi 110016, India.

概括

这项研究引入了一种新的局部敏感散列方法,以显著减少训练机器学习潜力所需的数据,降低量子化学计算的成本. 这种方法可以准确计算化学反应和相变的自由能量.

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