.

Honghui Shang1, Chu Guo2, Yangjun Wu2

  • 1State Key Laboratory of Precision and Intelligent Chemistry, University of Science and Technology of China, Hefei, China. shanghui.ustc@gmail.com.

Nature communications
|September 29, 2025
PubMed
概括

QiankunNet是一个新的神经网络量子状态 (NNQS) 框架,使用变压器架构和蒙特卡洛树搜索准确地解决了许多电子的施罗丁格方程. 这一突破为复杂的化学系统,包括芬顿反应机制,实现了高精度.

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