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AI-Enabled Catalytic Engineering: From Catalyst Design to Process Optimization

Smart Chemical Engineering (SCE) is announcing a Call for Papers for the topic “AI-Enabled Catalytic Engineering: From Catalyst Design to Process Optimization”.

Catalysis plays an important role in energy conversion, advanced materials manufacturing, and health-related applications, while also presenting major challenges associated with complex reaction networks, multiscale process coupling, and precise regulation. Recent advances in artificial intelligence (AI), particularly in high-dimensional data mining, complex relationship modeling, and optimization-driven decision-making, are reshaping catalyst design, mechanistic understanding, and process optimization. In this context, Smart Chemical Engineering (SCE) is pleased to announce a Call for Papers and invites submissions of high-quality contributions that highlight methodological advances and emerging applications of AI in catalytic engineering.

We welcome original research articles, reviews, and perspective papers addressing theoretical developments, methodological innovation, and practical applications of AI in catalyst design, mechanistic analysis, and related process engineering.

Topics of interest include, but are not limited to:

  • AI-driven catalyst design, screening, and optimization
  • AI-assisted mechanistic understanding and analysis of complex catalytic reaction networks
  • AI-driven research in computational catalysis
  • Integration of multimodal characterization and AI for catalytic spectral analysis and mechanistic studies
  • AI-driven multi-objective optimization, process regulation, and engineering applications of catalytic systems

Keywords: Artificial Intelligence, Catalytic Engineering, Catalyst Design, Mechanistic Analysis, Process Regulation

Academic Editors

Prof. Yuanhui Ji
Affiliation: School of Chemistry and Chemical Engineering, Southeast University

Prof. Jiahua Zhu
Affiliation: College of Chemical Engineering, Nanjing Tech University

Prof. Xiaonan Wang
Affiliation: Department of Chemical Engineering, Tsinghua University

Submission Details:

Submission Deadline: 30 November 2026
Office Contact: sce@sciltp.com
Instruction for Authors: https://www.sciltp.com/journals/sce/instructionForAuthors
Submission Link: https://sciflux.org/authors/submissions/add-submissions?journalCode=1909189275485560833