Deep learning chemistry ab initio

被引：0

作者：

Gabriella Graziano

机构：

[1] Nature Reviews Chemistry,

来源：

Nature Reviews Chemistry | 2020年 / 4卷

关键词：

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Exact solution to the Schrödinger equation for multiple electron systems typically comes at high computational cost. PauliNet uses deep learning quantum Monte Carlo to find multidimensional wavefunctions that describe molecules with up to 30 electrons.

引用

页码：564 / 564

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