Papers citing Catalysis in the digital age: Unlocking the power of data with machine learning
Machine learning-guided design of energy-related catalysts from nanoparticles to single-atom sites
Communications Chemistry · 2026-03-24
Zhongbao Hu, Zhoukun Wang, Yunyi Peng, Zhen Gao, Chanyuan Jin, Zechao C. Zhuang, Jian‐Feng Li
Read original paper ↗ ·Electrifying catalysis: Joule heating-driven advanced materials for volatile organic compound oxidation
Chemical Engineering Journal · 2026-04-23
Kumar Vikrant, Yongbiao Hua, Dimitrios A. Giannakoudakis, Quan Doan Mai, Anh-Tuan Le, Manh-Huong Phan
Read original paper ↗ ·Integrating machine learning in catalyst design for sustainable hydrogen from plastic waste
Energy Materials · 2026-05-20
Ayesha Obaid, Ting Sun, Ravichandar Babarao, Li Wang, Li Gao, Yichao Wang, Derek Hao
Read original paper ↗ ·Concurrent chemical reaction and cluster restructuring in a frustrated fluxional catalytic system identified via simple kMC model
Scientific Reports · 2026-05-21
Alexander Korobov
Read original paper ↗ ·Cost-Effective Quantum-Mechanical Workflows for Molecular Machine Learning
ACS Catalysis · 2026-05-26
David Dalmau, Lauriane Jacot‐Descombes, Adarsh V. Kalikadien, Brenda Manzanilla, Evgeny A. Pidko, Kjell Jorner, Matthew S. Sigman, Juan V. Alegre-Requena
Read original paper ↗ ·Photo‐/Electrochemical Site‐Selective Radical α‐C(sp 3 )–H Functionalization of Amines: Four Green Strategies for Applications, Challenges, and Opportunities
Advanced Synthesis & Catalysis · 2026-05-26
Huang Yong-fei, L P WANG, Mu‐Jia Luo, Hai‐Xin Ding, Chaozhihui Cheng, Qiang Xiao
Read original paper ↗ ·Recent advances in designing UiO-66-based photocatalysts for CO2 reduction and related photocatalytic applications: Structural tuning and emerging role of machine learning
Fuel Processing Technology · 2026-05-28
Roshanak Jalali, Seyed Reza Shabanian, Mohsen Ghorbani
Read original paper ↗ ·Learning From Atoms: Machine Learning Enabled Design of Durable PtCo Fuel Cell Catalysts
Advanced Functional Materials · 2026-06-02
Jong Min Lee, Song Jin, Jeemin Hwang, Mun Seon Kang, Joonhee Kang, Sung Mook Choi, Min Ho Seo
Read original paper ↗ ·Artificial Intelligence- and Machine Learning-Driven Strategies for Catalyst Design and Sustainable Chemical Processes
Processes · 2026-06-09
Amra Bratovčić, Vesna Tomašić
Read original paper ↗ ·From Chatbots to Chemists: Autonomous Agents for Heterogeneous Catalysis
ACS Catalysis · 2026-07-09
Mengyu Jin, Chenfei Liao, Zheng Xu, You Song, Ruifan He, Yalei Zhang, Xuming Hu, Zheng Shen
Read original paper ↗ ·Design and screening of high-performance catalytic materials based on the synergistic effects of multimodal energy carriers: A review
Materials Reports Energy · 2026-07-16
Rehan Khursheed, Yong Shuai, Bachirou Guene Lougou, Muhammad Rafique, Maroof Ali Panhwar, Azeem Mustafa, Fang Wang, Zhumabay Bakenov
Read original paper ↗ ·Recent advances in metal-organic frameworks and their derivatives for the selective catalytic reduction of NOx
Coordination Chemistry Reviews · 2026-07-21
Xinyu Niu, Yue Cheng, Jing Guo, Ling Zhao
Read original paper ↗ ·Catalysis Shaping a Sustainable Energy and Environmental Future
Catalysts · 2026-07-28
Muhammad Saeed Akhtar, Wajid Zaman
Read original paper ↗ ·Dynamic Phase Evolution of Fe‐Based Catalysts During CO 2 Hydrogenation: Implications for Data–Driven Design
Advanced Functional Materials · 2026-08-04
Hyeonji Yeom, Yong-Seok Kim, Kyungsu Na
Read original paper ↗ ·From Data to Discovery: Crafting Data‐Driven Frameworks for Advancing OER Electrocatalysts
Advanced Functional Materials · 2026-08-06
Lu Jia, Zihao Jin, Yueyang Tan, Zhongyan Zhang, Yayun Pu, Yang‐Gang Wang, Limin Huang
Read original paper ↗ ·Artificial intelligence in nanotechnology: current applications and future perspectives
Health Nanotechnology · 2026-08-18
Ali Majedi
Read original paper ↗ ·Unveiling the Uncharted Potential of 2D Materials in Li/Na–S Batteries: A Paradigm Shift From Graphene
Advanced Science · 2026-08-18
T.R. Naveen Kumar, Xuebing Zhu, Yao‐Jie Lei, Lei Zhang, Huan Liu, Wei‐Hong Lai, Guoxiu Wang, Yunxiao Wang
Read original paper ↗ ·Artificial Intelligence and Machine Learning for Oxygen Reduction Reaction: A Review on Catalyst Discovery and Durability Modeling
Electroanalysis · 2026-09-01
Aaditya Sharma, K. Jayachandiran, Shankar Raman Dhanushkodi, Haijiang Wang, Zhongwei Chen
Read original paper ↗ ·Data- and AI-Driven Catalysis Science: From Descriptors to Digital Catalysis for Next-Generation Catalysts
Green Energy & Environment · 2026-09-01
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 ↗ ·Feature Selection in Multivariate Linear Regression Models for Data-Efficient Reaction Optimization
ACS Catalysis · 2026-09-04
Alexandre A. Schoepfer, Rubén Laplaza, Jérôme Waser, Clémence Corminbœuf
Read original paper ↗ ·Modeling of pressurized electrolysis and co-electrolysis using reduced order model, computational fluid dynamics and artificial neural networks
Fuel · 2026-09-06
Maciej Bąkała, Krystian Machaj, Aleksandra Koprowska, Jakub Kupecki
Read original paper ↗ ·A Hybrid ACO–Ensemble Learning Framework for Predicting Student Forum Consumption Behaviour
Algorithms · 2026-09-17
Feziwe Lindiwe Khomo, Richard Charles Millham
Read original paper ↗ ·Engine exhaust waste heat recovery and utilization: synergistic optimization of Cu-based ternary catalysts for hydrogen-rich fuel production from green methanol cracking
Journal of Cleaner Production · 2026-10-01
Liangdong Zhao, Yankun Jiang, Chenyue Yang, Liangyu Zhao, Beidong Zhang
Read original paper ↗ ·Integrating machine learning-aided catalyst discovery and process electrification for decarbonizing platform chemicals
Chemical Papers · 2026-10-12
Tahseen Hameed Khlaif
Read original paper ↗ ·