Xing-Yun Xie

Laboratory of AI for Electrochemistry (AI4EC), IKKEM, Xiamen, China

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Scientific Discovery & Drug Design (1)

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Sheng Bi (1)Wei-Hong Xu (1)Yong-Bin Zhuang (1)Jia-Xin Zhu (1)

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Jul 1, 2026

College of Materials1w ago·also Institute of Artificial Intelligence, Laboratory of AI for Electrochemistry (AI4EC)

Ai2-Kit: Streamlining AI-Accelerated Ab Initio Workflows for Complex Chemical Systems

AI2 methods can now be transformed from bespoke protocols into reusable workflows, significantly enhancing the efficiency of molecular simulations in complex chemical systems.

Sheng Bi, Wei-Hong Xu, Yong-Bin Zhuang +70

Scientific Discovery & Drug Design

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Xing-Yun Xie

Publication activitypapers/week, last 8 weeks

Research focus

Frequent co-authors

Papers (1)