Papers citing Active learning streamlines development of high performance catalysts for higher alcohol synthesis
Data-Driven Development of Heterogeneous Catalysts for Propane Dehydrogenation with Machine Learning and Metaheuristic Optimization
ACS Materials Letters · 2024
Jungmok Oh, Junho Lee, Jisu Park, Namgi Jeon, Gyoung S. Na, Hyunju Chang, Joonsuk Huh, Hyun Woo Kim, Yongju Yun
Read original paper ↗ ·Machine learning assisted reactor and full process optimization design for alcohol oxidation
Chemical Engineering Science · 2024
Zhibo Zhang, Dongrui Zhang, Mengzhen Zhu, Hui Jun Zhao, Xin Zhou, Hao Yan, Chaohe Yang
Read original paper ↗ ·A revolutionary paradigm in chemistry and materials science research: self-driving laboratories
Chemical Communications · 2025
Jiaxuan Qiu, Liwen Zhu, Zhe Feng, Zhongzhong Luo, Longlu Wang
Read original paper ↗ ·Accelerating materials discovery through active learning: Methods, challenges and opportunities
The Innovation Informatics · 2025
Yujie Ma, Yang Gao, Ludi Wang, Ming Chen, Wenjuan Cui, Bin Wang, Yi Du
Read original paper ↗ ·Critical Assessment of Active Learning Benchmarks in Materials Discovery: Undisclosed Baselines and Optimistic Bias
Journal of Computational and Data-Driven Materials Engineering · 2025
Nguyễn Văn Nam, Tran Thi Hoa, Le Minh Duc
Read original paper ↗ ·General data management workflow to process tabular data in automated and high-throughput heterogeneous catalysis research
Digital Discovery · 2025
Erwin Lam, Tanguy Maury, Stefan Preiss, Yuhui Hou, Hannes Frey, Caterina Barillari, Paco V. Laveille
Read original paper ↗ ·High-Throughput Methods for Accelerated Catalyst Discovery
World Scientific Annual Review of Functional Materials · 2025
Puneethkumar M. Srinivasappa, Tangsheng Zou, Chun Qi Joy Ng, Amol P. Amrute
Read original paper ↗ ·Leveraging feature gradient for efficient acquisition function maximization in material composition design
Digital Discovery · 2025
Yuehui Xian, Yunfan Wang, Pengfei Dang, Xinquan Wan, Yumei Zhou, Xiangdong Ding, Jun Sun, Dezhen Xue
Read original paper ↗ ·Sustainable thermochemical plastic valorization towards a circular economy: a critical review
Green Chemistry · 2025
Liang Chen, Can Zhao, Xiangzhou Yuan, Huiyan Zhang, Maheshika Senanayake, Ondřej Mašek, Chao Hui He, Yong Sik Ok
Read original paper ↗ ·Synthesis planning for atomically precise metal nanoclusters
Nanoscale Horizons · 2025
Jingkuan Lyu, Jing Qian, Zhucheng Yang, Jianping Xie
Read original paper ↗ ·Role of the human-in-the-loop in emerging self-driving laboratories for heterogeneous catalysis
Nature Catalysis · 2025
Christoph Scheurer, Karsten Reuter
Read original paper ↗ ·Applications of machine learning in surfaces and interfaces
Chemical Physics Reviews · 2025
Shaofeng Xu, Jing‐Yuan Wu, Ying Guo, Qing Zhang, Xiaoxia Zhong, Jinjin Li, Wei Li Ren
Read original paper ↗ ·Transformative strategies for bimetallic catalyst screening in biomass conversion through active learning and DFT
Applied Catalysis B: Environmental · 2025
Yuan Deng, Pengxin Pu, Zhaowei Tian, Xin Li Song, Hu Ding, Si Wang, Tianyong Liu, Shiquan Zhao, Haisong Feng, Yusen Yang, Min Wei, Xin Zhang
Read original paper ↗ ·Non-thermal plasma and modified catalysts: A synergistic approach to air purification
Chemical Engineering Journal Advances · 2025
Weixuan Zhao, Hao Shen, Hong Zhang, Baojun Li, Renxi Zhang, Yujie Tan, Ran Sun
Read original paper ↗ ·Accelerated Design of Fenton‐Like Copper Single‐Atom Catalysts by Adaptive Learning with Genetic Programming
Angewandte Chemie · 2025
Haoyang Fu, Ke Li, Qingze Chen, Bijun Tang, Zhongyi Deng, Ziyang Toh, Runliang Zhu, Shuzhou Li
Read original paper ↗ ·Accelerated Design of Fenton‐Like Copper Single‐Atom Catalysts by Adaptive Learning with Genetic Programming
Angewandte Chemie International Edition · 2025
Haoyang Fu, Ke Li, Qingze Chen, Bijun Tang, Zhongyi Deng, Ziyang Toh, Runliang Zhu, Shuzhou Li
Read original paper ↗ ·Science acceleration and accessibility with self-driving labs
Nature Communications · 2025
Richard B. Canty, Jeffrey A. Bennett, Keith A. Brown, Tonio Buonassisi, Sergei V. Kalinin, John R. Kitchin, Benji Maruyama, R. G. Moore, Joshua Schrier, Martin T. Seifrid, Shijing Sun, Tejs Vegge, Milad Abolhasani
Read original paper ↗ ·A Review on Catalytic Ethanol Synthesis via Hydrogenation of Carbon Dioxide
ChemSusChem · 2025
Abdellah Ait El Fakir, Pengfei Du, Bin Yang, Nazmul Hasan MD Dostagir, Jörg W. A. Fischer, Akihiko Anzai, Ken‐ichi Shimizu, Takashi Toyao
Read original paper ↗ ·Structural stability of layered oxides for sodium-ion batteries: Insights and strategies
Energy storage materials · 2025
Xingyu Li, Songlin Yu, Xiaolin Zhao, Jianjun Liu
Read original paper ↗ ·A Helping Hand: A Survey About AI-Driven Experimental Design for Accelerating Scientific Research
Applied Sciences · 2025
Lukas Nolte, Sven Tomforde
Read original paper ↗ ·Neural network-based thermal model for virtual metrology of lunar orbiter temperatures via active and transfer learning
International Communications in Heat and Mass Transfer · 2025
Byungkwan Jang, Moon-Jin Jeon, Sang-Seung Lee, Hyungyu Jin
Read original paper ↗ ·Explainable Artificial Intelligence Elucidates Synthesis‐Structure‐Property‐Function Relationships in Nanostructured Catalysts
Advanced Materials · 2025
Manu Suvarna, Marc‐Eduard Usteri, Frank Krumeich, Sharon Mitchell, Javier Pérez‐Ramírez
Read original paper ↗ ·Descriptors toward higher alcohols and olefins formation in CO2 hydrogenation on promoted iron catalysts
Applied Catalysis B: Environmental · 2025
Yuzhen Ge, Antonio José Martín, Manu Suvarna, Tangsheng Zou, Frank Krumeich, Javier Pérez‐Ramírez
Read original paper ↗ ·Data-Driven Strategies for Designing Multicomponent Molten Catalysts to Accelerate the Industrialization of Methane Pyrolysis
ACS Catalysis · 2025
Yuanzheng Chen, X.L. Huang, Yangdong He, Qian Liu, Junmei Du, Weiyou Yang, Wenhan Wang, Di Zhang, Xue Jia, Hongyan Wang, Yongliang Tang, Qingkai Yu, Seok Ki Kim, Hao Li
Read original paper ↗ ·Self‐Evolving Discovery of Carrier Biomaterials with Ultra‐Low Nonspecific Protein Adsorption for Single Cell Analysis
Advanced Materials · 2025
Songtao Hu, Wenhui Lu, Xijia Ding, Yingying Xue, Congcong Liu, Tian Xie, Yinjun Deng, Haoran Li, Zhuocheng Gong, Yanming Xia, Peishen He, Lingliao Zeng, Zhong Wang, Jian Guo Jin, Zhi Jia Luo, Xi Shi, Zhike Peng, Tao Xu, Xiaobao Cao
Read original paper ↗ ·Best practices for multi-fidelity Bayesian optimization in materials and molecular research
Nature Computational Science · 2025
Victor Sabanza Gil, Riccardo Barbano, Daniel Pacheco Gutiérrez, Jeremy S. Luterbacher, José Miguel Hernández-Lobato, Philippe Schwaller, Loı̈c M. Roch
Read original paper ↗ ·Biology-aware machine learning for culture medium optimization
New Biotechnology · 2025
Takamasa Hashizume, Bei‐Wen Ying
Read original paper ↗ ·Self-driving laboratories with artificial intelligence: An overview of process systems engineering perspective
Computers & Chemical Engineering · 2025
You-Hyun Kim, Hayoung Doo, Daeun Shin, Seo Yoon Lee, Seo Yoon Lee, Yugyeong Roh, Seong‐Eun Park, Heejin Song, Yujin Jung, Hyuk Jun Yoo, Sang Soo Han, Jong Woo Kim, Maximilian O. Besenhard, Ye Seol Lee, Jonggeol Na
Read original paper ↗ ·Efficient optimization of ultra-high temperature ceramic oxidation resistance based on limited data via GAN-enhanced active learning
Journal of Alloys and Compounds · 2025
Lingyu Wang, Li’an Zhu, Wenjian Guo, Zhen Wang, Bin Yang, Shuxin Bai, Yicong Ye
Read original paper ↗ ·Theoretical High-Throughput Screening of Single-Atom CO2 Electroreduction Catalysts to Methanol Using Active Learning
Engineering · 2025
Honghao Chen, Jun Yin, Jiali Li, Xiaonan Wang
Read original paper ↗ ·Synergy of Machine Learning and High‐Throughput Experimentation: A Road Toward Autonomous Synthesis
Chemistry - An Asian Journal · 2025
Rizvi Syed Aal E Ali, Jiaolong Meng, Xuefeng Jiang
Read original paper ↗ ·Autonomous catalysis research with human–AI–robot collaboration
Nature Catalysis · 2025
Negin Orouji, Jeffrey A. Bennett, Richard B. Canty, Long Hao Qi, Shijing Sun, Paulami Majumdar, Chong Liu, Núria López, Neil M. Schweitzer, John R. Kitchin, Hongliang Xin, Milad Abolhasani
Read original paper ↗ ·Iterative Machine Learning-Guided Discovery of Transition Metal Compounds as Catalysts for Li–CO 2 and Li–Air Batteries
Journal of the American Chemical Society · 2025
Ding Ding, Xiaoqi Zhu, Heyu Xiao, Xinyan Liu, Jianli Cheng, Jun Biao Lu, Bin Wang
Read original paper ↗ ·Synergistic Plasma Catalysis for CO 2 Conversion: Mechanistic Insights, Advanced Characterization, and Rational Design Strategies
ACS Catalysis · 2025
Dae-Yeong Kim, Shinya Furukawa, Satoru Takakusagi, Hyun‐Ha Kim, Tomohiro Nozaki
Read original paper ↗ ·Integrative catalytic pairs driving complex chemical reactions
Nature Reviews Chemistry · 2025
Jie Ding, Lingyue Liu, Hongbin Yang, Tianyu Zhang, Bin Liu
Read original paper ↗ ·Design of rust layer stabilizers for weathering steel guided by interpretable machine learning and Bayesian optimization
Corrosion Science · 2025
Yiran Li, Lingwei Ma, Zongbao Li, Xin Guo, Jingzhi Yang, Jinke Wang, J.M.C. Mol, Dawei Zhang
Read original paper ↗ ·Building Catalyst Exploration Highways by Integrating High‐Throughput and Machine Learning Technologies
Advanced Energy Materials · 2025
Xiaorui Liu, Jianghao Liang, Ziyi Wang, Qingyu Li, Yida Deng, Haozhi Wang
Read original paper ↗ ·Solar-driven catalytic platforms for closed-loop carbon cycling: CO2 assisting biomass conversion
Bioresource Technology · 2025
Jingwen Jiang, Yiheng Wang, Yuan-Jie Li, Junxi Huang, Weiping Zhang, Dan Wang, Dong Xu, Dong Fu, Pan Zhang, Lemeng Wang, Kun Zhao
Read original paper ↗ ·Spatial-adaptive active learning identifies ultra-durable and highly active catalysts for acidic oxygen evolution reaction
中国科学通报：英文版 · 2025
Bin Cao, Yin Qin, Yan Luo, Zhehan Ying, Zilin Yan, Lu‐Tao Weng, Kaikai Li, Tong‐Yi Zhang
Read original paper ↗ ·Machine Learning in Homogeneous Catalysis: Basic Concepts and Best Practices
ACS Catalysis · 2025
David Dalmau, Susana García-Abellán, Juan V. Alegre-Requena
Read original paper ↗ ·Sequential active learning for medium optimization in mAb production
Journal of Bioscience and Bioengineering · 2025
Takamasa Hashizume, Koki Baba, Naoya Matsuo, Bei‐Wen Ying
Read original paper ↗ ·AI-powered electronic skin: from smart design to cognitive interaction
Bio-Design and Manufacturing · 2026
Baocheng Wang, Depeng Kong, Huayong Yang, Kaichen Xu, Geng Xin Yang
Read original paper ↗ ·Catalytic CO 2 hydrogenation toward net-zero fuels and chemicals
Chemical Society Reviews · 2026
Chengsheng Yang, Doudou Hu, Xiyue Yang, Ziyi Wang, Sai Chen, Chunlei Pei, Jinlong Gong
Read original paper ↗ ·Predictive design of stretchable electrodes with strain-insensitive performance via robotics- and machine learning-integrated workflow
Nature Communications · 2026
Haochen Yang, Qiongyu Chen, Tianle Chen, Yang Li, Elizabeth Norris, Joshua M. Little, Jiayue Sun, Snehi Shrestha, Edison Chen, Shenqiang Ren, Teng Li, Po‐Yen Chen
Read original paper ↗ ·Machine Learning for Catalytic Reaction Systems: A Framework for Complex Chemical Processes
ACS Engineering Au · 2026
Mehmet Erdem Günay, Ramazan Yıldırım
Read original paper ↗ ·Thermo-Catalytic Carbon Dioxide Hydrogenation to Ethanol
Chemistry · 2026
Xianyu Meng, Ying Wang, Jie Li, Hongxing Wang, Chenglong Yu, Jia Guo, Zhuo Zhang, Qingli Qian, Buxing Han
Read original paper ↗ ·Decarbonizing fossil-to-chemicals conversion: reliable real-time optimization under coupled chemical and carbon capture dynamics
Journal of Cleaner Production · 2026
Zhibo Zhang, Zhibo Zhang, Ze Li, Mengzhen Zhu, Yani Wang, Yibo Yuan, Honghua Qin, Jiarong Lu, Yaqian Li, Xin Zhou, Yibin Liu, Qun Zhang, Hao Yan, Xiaobo Chen, Hui Zhao, Chaohe Yang
Read original paper ↗ ·Nitrogen-doped activated carbon supported CuCo catalysts with electronic synergy for highly efficient syngas conversion to ethanol
Fuel · 2026
Kai Sun, Shiqi Geng, Zixuan Liu, Faen Song, Peng Qin, Caixia Zhu, Guangbo Liu, Prasert Reubroycharoen, Yisheng Tan, Qingde Zhang, Noritatsu Tsubaki
Read original paper ↗ ·AIMATDESIGN: knowledge-augmented reinforcement learning for inverse materials design under data scarcity
npj Computational Materials · 2026
Yeyong Yu, Xilei Bian, Jie Xiong, Xudong Wu, Quan QIAN
Read original paper ↗ ·Generative AI as an Enabler for Process Intensification
Industrial & Engineering Chemistry Research · 2026
Alejandro Montesinos‐Castellanos, Antonio Flores‐Tlacuahuac, Enrique A. López-Guajardo, Karla M. Esquivel-Ortiz, Rubén Morales-Menéndez
Read original paper ↗ ·