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Firdaus Parveen and Anna G. Slater

Catal. Sci. Technol., 2025, 15, 1689
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Artificial intelligence-driven advances in photocatalytic hydrogen production

Leandro Goulart de Araujo and David Farrusseng

New J. Chem., 2025, 49, 6888
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AI and automation: democratizing automation and the evolution towards true AI-autonomous robotics

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Chem. Sci., 2025, 16, 15769
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Atomic-scale characterization: a review of advances in microscopy, spectroscopy, and machine learning

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J. Mater. Sci.: Compos., 2025, 6
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Using machine learning to guide the synthesis of supported palladium catalysts with desired palladium dispersion

Kubra Tiras, Burcu Oral, Nazlinur Koparipek Arslan, Sila Alemdar, Ramazan Yildirim and Alper Uzun

Journal of Catalysis, 2025, 448, 116176
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A new era in catalysis: Combining Al, DFT, single atom catalysis, and comprehensive characterizations applied to catalytic oxidation of C1-C4 volatile organic compounds

Suryamol Nambyaruveettil, Labeeb Ali and Mohammednoor Altarawneh

Journal of Environmental Chemical Engineering, 2025, 13, 115282
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Intelligent Systems for Inorganic Nanomaterial Synthesis

Chang’en Han, Xinghua Dong, Wang Zhang, Xiaoxia Huang, Linji Gong and Chunjian Su

Nanomaterials, 2025, 15, 631
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A research database for experimental electrocatalysis: Advancing data sharing and reusability

Ruchika Mahajan, Ashton M. Aleman, Colin F. Crago, Suman Bhasker-Ranganath, Melissa E. Kreider, Jose A. Zamora Zeledon, Johanna Schröder, Gaurav A. Kamat, McKenzie A. Hubert, Adam C. Nielander, Thomas F. Jaramillo, Michaela Burke Stevens, Johannes Voss and Kirsten T. Winther

The Journal of Chemical Physics, 2025, 163
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Interpretable physics-informed machine learning approaches to accelerate electrocatalyst development

Hao Wu, Mingxuan Chen, Hao Cheng, Tong Yang, Minggang Zeng and Ming Yang

J. Mater. Inf., 2025, 5
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Large language models for reticular chemistry

Zhiling Zheng, Nakul Rampal, Theo Jaffrelot Inizan, Christian Borgs, Jennifer T. Chayes and Omar M. Yaghi

Nat Rev Mater, 2025, 10, 369
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Solvent Screening for Separation Processes Using Machine Learning and High-Throughput Technologies

Justin P. Edaugal, Difan Zhang, Dupeng Liu, Vassiliki-Alexandra Glezakou and Ning Sun

Chem Bio Eng., 2025, 2, 210
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A Helping Hand: A Survey About AI-Driven Experimental Design for Accelerating Scientific Research

Lukas Nolte and Sven Tomforde

Applied Sciences, 2025, 15, 5208
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AI in single-atom catalysts: a review of design and applications

Qiumei Yu, Ninggui Ma, Chihon Leung, Han Liu, Yang Ren and Zhanhua Wei

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The hidden engine of AI in electrocatalysis: Databases and knowledge graphs at work

Di Zhang and Hao Li

Molecular Chemistry & Engineering, 2025, 1, 100003
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Application of graph neural network in computational heterogeneous catalysis

Zihao Jiao, Ya Liu and Ziyun Wang

The Journal of Chemical Physics, 2024, 161
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Machine Learning for Developing Sustainable Polymers

Ziyu Huo, Xiaoyu Xie and Rong Tong

Chemistry A European J, 2025, 31
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Transforming Catalysis with Machine Learning: Emerging Tools and Next-Gen Strategies

Pengxin Pu, Haisong Feng, Xin Song, Si Wang, Jie J. Bao and Xin Zhang

ACS Appl. Mater. Interfaces, 2025
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From lab to fab: A large language model for chemical engineering

Jibin Zhou, Feiyang Xu, Zhijun Chang, Duiping Liu, Lulu Li, Jian Cui, Yi Li, Xin Li, Li Qian, Zhixiong Zhang, Guoping Hu, Mao Ye and Zhongmin Liu

Chinese Journal of Catalysis, 2025, 73, 159
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Recent developments in the use of machine learning in catalysis: A broad perspective with applications in kinetics

Leandro Goulart de Araujo, Léa Vilcocq, Pascal Fongarland and Yves Schuurman

Chemical Engineering Journal, 2025, 508, 160872
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Machine learning-based design of electrocatalysts and catalytic mechanism research

Kexiang Guo, Xinyu Fan, Letian Chen, Xu Zhang and Zhen Zhou

Sci. Sin.-Chim, 2025, 55, 1660
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Machine learning for catalysis: Bridging data-driven discovery and physical insight

Hongjing Wu, Shangkang Xie, Xurui Li, Yashuang Zhao, Lixia Guo, Xinlei Tu, Feiyu Feng, Qingtao Wang, Jinghui Lyu, Feng Feng, Chunshan Lu, Rubo Fang, Qunfeng Zhang and Xiaonian Li

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Revealing the Impact of Aggregations in the Graph‐Based Molecular Machine Learning: Electrostatic Interaction Versus Pooling Methods

Sanghoon Lee and Hyun Woo Kim

Advcd Theory and Sims, 2025
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AI in Mental Health: A Review of Technological Advancements and Ethical Issues in Psychiatry

Utsav Poudel, Sachin Jakhar, Prakash Mohan and Anuj Nepal

Issues in Mental Health Nursing, 2025, 46, 693
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Application of machine learning methods in the metallurgical industry: A bibliometric analysis and systematic literature review

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Mineral Processing and Extractive Metallurgy: Transactions of the Institutions of Mining and Metallurgy, 2025
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Material design accelerated by large language models: end-to-end empowerment from knowledge mining to intelligent design

Yudan HUANG, Wanjun XIA, Junmei DU, Yu JIANG, Xin WANG, Yuanzheng CHEN, Hongyan WANG, Jijun ZHAO and Chunsheng GUO

Acta Phys. Sin., 2025, 74, 188101
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Recent Advances in CO(2) Electroreduction Driven by Artificial Intelligence and Machine Learning

Yuanyuan Xue, Lijuan Zhang and Gengfeng Zheng

Advanced Energy Materials, 2025
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A Well‐Advanced High‐Throughput Test System for Electrocatalytic Screening Applications Under Industrial Relevant Conditions – A Perspective to Accelerate Electrolysis Research and Development

Deniz Dogan, Burkhard Hecker, Xuehuai Hou, Inka Dessel, Andreas Müller, Guido Wasserschaff, Simone S. Köcher, Violeta Karyofylli, Hans Kungl, Hermann Tempel and Rüdiger‐A. Eichel

Electrochemical Science Adv, 2024
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Synergizing a knowledge graph and large language model for relay catalysis pathway recommendation

Fei Fu, Qing-Qing Li, Fangrong Wang, Jie Hu, Tian-Tian Wang, Yun-Pei Liu, Weihong Xu, Zhili Lin, Fu-Qiang Gong, Qi-Yuan Fan, Jeff Z Pan, Ye Wang and Jun Cheng

National Science Review, 2025, 12
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Advances in Gasoline Hydrodesulfurization Catalysts: The Role of Structure–Activity Relationships and Machine Learning Approaches

Honglei Sun, Chao Chen, Ran Zhang, Yang Li, Shaohui Ge and Peng Cui

ACS Omega, 2025, 10, 31262
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AI Design for High Entropy Alloys: Progress, Challenges and Future Prospects

Enzhi Xie and Chao Yang

Metals, 2025, 15, 1012
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A risk-based model for human-artificial intelligence conflict resolution in process systems

He Wen and Faisal Khan

Digital Chemical Engineering, 2024, 13, 100194
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Language models for materials discovery and sustainability: Progress, challenges, and opportunities

Zongrui Pei, Junqi Yin and Jiaxin Zhang