Papers citing Active learning streamlines development of high performance catalysts for higher alcohol synthesis
Roadmap for transforming heterogeneous catalysis with artificial intelligence
Nature Catalysis · 2026
Hongliang Xin, John Kitchin, Núria López, Neil M. Schweitzer, Nongnuch Artrith, Fanglin Che, Lars Christian Grabow, G. T. Kasun Kalhara Gunasooriya, Heather J. Kulik, Teodoro Laino, H. C. Li, Suljo Linic, Andrew James Medford, Randall J. Meyer, Jiayu Peng, Cory Phillips, Jin Qian, Long Hao Qi, Wendy J. Shaw, Zachary W. Ulissi, Siwen Wang, Xiaonan Wang
Read original paper ↗ ·Deciphering the Interfacial Catalysis of Metal–Oxide Nanocatalysts in CO 2 Hydrogenation through a Machine Learning Approach
Journal of the American Chemical Society · 2026
Dandan Ren, Mei Hong, Ruiying Li, Yuwei Zhou, Zheng Wang, C.R. Li, Jieqiong Ding, Fei Wang, Xingchen Liu, Weixin Huang, Xiaodong Wen, Zhenhua Zhang
Read original paper ↗ ·Machine learning framework for prediction of plasma-based carbon dioxide conversion: Balancing computational efficiency with experimental efforts
Energy Conversion and Management · 2026
Jiayin Li, Giovanni Palma, Jing Xu, Fausto Gallucci, Annemie Bogaerts, Sirui. Li
Read original paper ↗ ·Adaptive Experiment Planning for Inverse Design and Understanding: Synergistic Interactions as Key to Optimized Multi-Promoter Formulations
ACS Catalysis · 2026
Charles W. P. Pare, Aybike Terzi, Christian Künkel, Michael Geske, Raoul Naumann d’Alnoncourt, Christoph Scheurer, Frank Rosowski, Karsten Reuter
Read original paper ↗ ·Emerging Trends and Future Prospects of the Catalytic Conversion of Syngas to Higher Alcohols
ACS Omega · 2026
Biswajit Shown, Pranjal Gogoi, Shouvik Mitra, Indrajit Shown, Rajib Bandyopadhyay, Asit Kumar Das
Read original paper ↗ ·Adaptive Learning with Gaussian Process Regression: A Comprehensive Review of Methods and Applications
Machine Learning and Knowledge Extraction · 2026
Dominik Polke, Elmar Ahle, Dirk Söffker
Read original paper ↗ ·Rational design of MXene composites for high-performance potassium-ion batteries
Journal of Energy Storage · 2026
Salman Khan, Abdullah Ayaz, Umme Kalsoom, Syed Israr Shah, Muffarih Shah, Awais Ali Qarni, Muhammad Khan, Mohamed Hassan Eisa, Zainuriah Hassan, Nasir A. Ibrahim, Ashraf A. Qurtam
Read original paper ↗ ·Liquid-phase thermal decomposition-derived nanoparticles for electrocatalytic applications
Materials Today · 2026
Muhammad Ibrar Ahmed, Rana Sami Ul Haq, Shuzhen Zhang, Yong Zhao, Cheng Wang, Mohammed Fawaz, Arsh Ismaili, Liang Qiao, John Vedamuthu Kennedy, Ajayan Vinu, Jiabao Yi
Read original paper ↗ ·From Discovery to Deliverables: Bridging the Machine Learning, Synthesis, and Characterization Gap in Nanoscale Materials
Chemistry of Materials · 2026
Ruyun Cai, Tianyi Gao, Fang Fang, Yang Liu
Read original paper ↗ ·Machine learning boosted optimal parameters identification for higher alcohols synthesis over CuZn-based catalysts with experimental validation
Chemical Engineering Journal Green and Sustainable · 2026
Yifan Xu, Hui Bai, Bing Bai, Zhijun Zuo, Zhihua Gao, Jianping Zuo, Wei Huang
Read original paper ↗ ·Nanomaterial Integration at Liquid–Liquid Interfaces for Green Catalysis
Advanced Materials · 2026
Bokgi Seo, Jaewon Shin, Minkyoung Jang, Kyoungho Choi, Tengfei Pang, Fangrui Zhong, Junsu Kim
Read original paper ↗ ·Potential, challenges and opportunities of machine learning model for plasma-based gas conversion: a critical review
ENGINEERING Chemical Engineering · 2026
Jiayin Li, Xinpei Lu, Sirui Li, Annemie Bogaerts
Read original paper ↗ ·Biomass chemical looping: A sustainable pathway for energy and chemicals
Journal of Energy Chemistry · 2026
Can Zhao, Xiangzhou Yuan, Junyao Wang, Huiyan Zhang, Ange Nzihou, Liang‐Shih Fan, Daniel C.W. Tsang, Chi-Hwa Wang, Yong Sik Ok
Read original paper ↗ ·Thermal and Photocatalytic Conversion of CO 2 to Ethanol: Advances in Catalyst Design, Challenges, and Opportunities
ChemSusChem · 2026
Bryan Rocano‐Merchan, Alejandro Cañete‐Arché, Asier Agrelo‐Lestón, Jonatan Perez‐Arce, Zoraida Freixa, Ander Centeno‐Pedrazo, Max García Melchor, Eduardo J. García‐Suárez
Read original paper ↗ ·Transparent reporting for agentic catalysis enabled by artificial intelligence: Community guidelines and a publication checklist
Chem Catalysis · 2026
Hongliang Xin, John R. Kitchin, Núria López, Neil M. Schweitzer, Milad Abolhasani, Nongnuch Artrith, Líney Árnadóttir, Kamal Choudhary, Rui Ding (423236), Anatoly I. Frenkel, Joseph A. Gauthier, Bryan R. Goldsmith, Amir Barati Farimani, Lars Christian Grabow, G. T. Kasun Kalhara Gunasooriya, Guoxiang Hu, Tyler R. Josephson, Heather J. Kulik, Dr. Ritesh Kumar, Teodoro Laino, Hui Li, Xiaoyan Li, Wan-Lu Li, Suljo Linic, Chong Liu, Cong Liu, Fudong Liu, Mingjie Liu, Piao Ma, Andrew James Medford, Sukrit Mukhopadhyay, Pengfei Ou, Christopher Paolucci, Jiayu Peng, Cory Phillips, Marc D. Porosoff, Long Qi, Shijing Sun, Tibor Szilvási, Johannes Voss, Xiaonan Wang, Kirsten T. Winther, Qin Wu, Di Zhang, Zisheng Zhang
Read original paper ↗ ·Na promoter synergistic tuning Co-Fe alloy-carbide dual sites: Directing syngas conversion to C2+ alcohols
Journal of Fuel Chemistry and Technology · 2026
Hengxuan ZHANG, Yan SUN, Qiwen Sun, Jianmin WU
Read original paper ↗ ·Machine Learning-Assisted Development of High-Performance Ethanol Synthesis Catalysts via CO2 Hydrogenation
Journal of the American Chemical Society · 2026
Pengfei Du, Abdellah Ait El Fakir, El Fakir, Shinya Mine, Bin Yang, Hongli Pan, Chenxi He, Nazmul Hasan, Yuriko Ando, Jörg W. A. Fischer, Akihiko Anzai, Giles Allison, Ryo Toyoshima, Hiroshi KONDOH, Wei Zhou, Christophe Copéret, Ichigaku Takigawa, Ken‐ichi Shimizu, Takashi Toyao
Read original paper ↗ ·Leveraging Large Language Models for Understanding Fundamental Principles of Catalysis
The Journal of Physical Chemistry C · 2026
Shane S. Michtavy, Sinhara M. H. D. Perera, Marc D. Porosoff
Read original paper ↗ ·Trendbericht Technische Chemie 2026
Nachrichten aus der Chemie · 2026
Bjarne Kreitz
Read original paper ↗ ·Data- and AI-Driven Catalysis Science: From Descriptors to Digital Catalysis for Next-Generation Catalysts
Green Energy & Environment · 2026
Linlin Sun, Xiaoshuo Liu, Ding Qianghua, Linda Zhang, Di Zhang, Piao Ma, Zhaoxin Wan, Jiayu Peng, Wenqiang Yang, Ang Cao, Weijie Yang, Hui Li
Read original paper ↗ ·Machine Learning-Accelerated Advancements in Electrocatalytic CO2 Reduction
Environmental Science & Technology · 2026
Hao Wang, Junfeng Li, Yuquan Li, Zeqiu Chen, Xiaoyang Xuan, Hongxin Qi, Likun Pan
Read original paper ↗ ·Vanadium–titanium catalysts in oxidative catalysis: from surface structures to reaction mechanisms and applications
ENGINEERING Chemical Engineering · 2026
Qiong Huang, Xuelin Niu, Junjie Li, Ruiyi Yan, Kexin Li, Yu Liu, R. Z. Liu
Read original paper ↗ ·Atomically dispersed p-block sites toward destructive PFAS treatment: Direct evidence, mechanistic analogies for CF bond activation, and process intensification
Chemical Engineering Journal · 2026
Junpeng Guo, Miao Lei, Fang Shen, Junhang Huang, Ye Li, Xingtao Xu
Read original paper ↗ ·Atoms to Processes: The Role of Artificial Intelligence and Machine Learning in Chemical Engineering
Industrial & Engineering Chemistry Research · 2026
Michael Bâldea, Linda J. Broadbelt, Marianthi Ierapetritou, Akhilesh Jain, Ankur Kumar, Thomas Alan Kwan, Fèlix Llovell, Andrew James Medford, Ilias Mitrai, Joel A. Paulson, Junyi Qiao, Matthew P. Rivera, Kirti Chandra Sahu, Lev Sarkisov, Zachary P. Smith, Calvin Tsay, Ching-Mei Wen, Víctor M. Zavala, Huacheng Zhang, Dan Zhao
Read original paper ↗ ·Optimizing NiMo Electrocatalyst Coatings for Hydrogen Evolution in Alkaline Electrolysis With The Machine Learning‐Guided Autonomous Platform CatBot
Advanced Functional Materials · 2026
Paolo Vincenzo Freiesleben de Blasio, Jonas Elsborg, Elif Coşkun, Andreas Burger, Pradipkumar Manubhai Leuaa, Thu Anh Pham Phan, Jin Hyun Chang, Christodoulos Chatzichristodoulou
Read original paper ↗ ·