基于光谱描述符的机器学习监测C–C耦合反应过程动态演变 (IMAGE)

Science China Press

基于光谱描述符的机器学习监测C–C耦合反应过程动态演变

Caption

通过将计算得到的红外光谱作为输入，由多个模块和一个全连接层组成的机器学习模型能够准确预测目标结构和能量信息，追踪关键反应过程。

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Art by Li Yang and Sheng Ye.

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