数据驱动的机器学习在电化学储能材料研究中的应用

施思齐, 涂章伟, 邹欣欣, 孙拾雨, 杨正伟, 刘悦

Applying data-driven machine learning to studying electrochemical energy storage materials

Siqi SHI, Zhangwei TU, Xinxin ZOU, Shiyu SUN, Zhengwei YANG, Yue LIU

图6 图深度学习在分子/晶体结构应用的工作流程

Fig. 6 Workflow of application of graph deep learning in crystal and molecular structure