,

Yu-Cheng Chang1, Yi-Pei Li1,2

  • 1Department of Chemical Engineering, National Taiwan University, No. 1, Sect. 4, Roosevelt Road, Taipei 10617, Taiwan.

概括

一个新的强化学习优化器显著减少了超过50%的分子几何优化步骤. 这种新的方法整合了化学信息,提高了效率,并在计算化学中证明了广泛的适用性.

相关概念视频

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The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
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