Jun Cheng State Key Laboratory of Physical Chemistry o Surfaces

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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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Jun Cheng State Key Laboratory of Physical Chemistry o Surfaces

Publication activitypapers/week, last 8 weeks

Research focus

Frequent co-authors

Papers (1)