在溶液中的圆交叉点上的量子力学. 一,乘法神经网络和热场

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Bartosz Błasiak1, Dominik Brey1, Rocco Martinazzo2

  • 1Institute of Physical and Theoretical Chemistry, Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt, Germany.

The Journal of chemical physics
|September 23, 2025
PubMed
概括

神经网络的潜能捕捉到对分子振动的环境影响. 这种方法整合了化学反应的精确量子动力学模拟的集体模式.

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