Papers citing From Characterization to Discovery: Artificial Intelligence, Machine Learning and High-Throughput Experiments for Heterogeneous Catalyst Design
Supply Chain Optimization-based Drug Polymer Analysis Using AI Model for Synthesis and Characterization
IGI Global eBooks · 2025-07-11
Lubin Balasubramanian, G. Balamurugan, Nagamany Abirami, U Muruganantham, S. Magesh, R. Manikandan
Read original paper ↗ ·Electrifying nitrate conversion: Dual-metal-site catalysts as a game-changer for sustainable NH 3 production
Nano Research · 2025-07-16
Jiacheng Wang, Junqing Ma, Hanxiao Du, Ruguang Ma, Jiacheng Wang
Read original paper ↗ ·Gallium Nitride in Heterogeneous Photocatalysis: Fundamental Insights and Emerging Trends
ChemistryEurope · 2025-07-16
Hyotaik Kang, C.‐J. LI
Read original paper ↗ ·High entropic engineering for sustainable energy and environmental applications
Journal of environmental chemical engineering · 2025-07-17
Monika Singh, Iram Malik, Fawwaz Hazzazi, Anuj Kumar
Read original paper ↗ ·Stabilization of Metal-Based Catalysts for Hydrogenation of CO2 to C1 Products
Energy & Fuels · 2025-07-18
Lujie Liu, Hao Zheng, Angjian Wu, Hangjie Li, Ang Cao, Jianhua Yan, Liang Wang, Feng‐Shou Xiao
Read original paper ↗ ·Graph‐Based High‐Throughput Framework for Screening Selective Propane Dehydrogenation Catalysts
ChemCatChem · 2025-07-19
Ranga Rohit Seemakurthi, Siddharth Deshpande, David P. Dean, Jessica A. Muhlenkamp, Ryan Alcala, Aubrey L. Jeffries, Russell J. Clarke, Isha S. Chavan, Justin Senyk, Yinan Xu, Anne Esther Serban, Casey P. O apos Brien, Abhaya K. Datye, Jason C. Hicks, Jeffrey T. Miller, Jeffrey Greeley
Read original paper ↗ ·Artificial Intelligence for Materials Discovery, Development, and Optimization
ACS Nano · 2025-07-25
Benediktus Madika, Aditi Saha, Chaeyul Kang, Batzorig Buyantogtokh, Joshua Agar, Chris M. Wolverton, Peter W. Voorhees, P. B. Littlewood, Sergei V. Kalinin, Seungbum Hong
Read original paper ↗ ·Advanced Design for High-Performance and AI Chips
Nano-Micro Letters · 2025-07-29
Ying Cao, Yuejiao Chen, Xi Fan, Hong Chuan Fu, Bingang Xu
Read original paper ↗ ·Machine Learning-Driven Design of Cr-Doped CeO 2 Electrocatalysts for the Efficient Oxygen Evolution Reaction
ACS Applied Energy Materials · 2025-07-29
Abdul Sami, Atiba Wahid, Shaaban M. Shaaban, Wajid Sajjad, Farhan Zafar, Naeem Akhtar, Muhammad Ali Khan, Muhammad Mazhar
Read original paper ↗ ·Statistics in enabling 2D materials: Optimization, predictive modelling, and data-driven discovery
Materials Today Physics · 2025-07-29
Johnson Kehinde Abifarin, Yuerui Lu
Read original paper ↗ ·Sequential EXtreme Gradient Boosting-Based Descriptor Reduction for Size Prediction of Zwitterionic Polymer-Based Nanoparticles
ACS Omega · 2025-07-31
Sima Rezvantalab, Sara Mihandoost, Roger M. Pallares, Fabian M. Kiessling
Read original paper ↗ ·Advances in catalysis for biodiesel production: Integrating AI-driven optimization and bibliometric insights into renewable energy technologies
Bioresource Technology · 2025-08-05
Nur Fatin Sulaiman, Saraswathy Shamini Gunasekaran, Halimah Badioze Zaman, Siti Nur Ashakirin Mohd Nashruddin, Siti Nur Ashakirin Mohd Nashruddin, A.G.N. Sofiah, Mohamad Helmi Abd Mubin, Siew Ling Lee
Read original paper ↗ ·Designing and Engineering Efficient and Durable Low‐Ir Catalysts at Multiple Scales for Water Electrolysis: Atomic Structures, Nanoscale Morphologies, and Macroscopic Electrode Configurations
Advanced Energy Materials · 2025-08-11
Jiashun Liang, Qiang Sun, Fan Yang, Gang Wu
Read original paper ↗ ·Artificial-intelligence-enabled catalysis via standardized batch data
Chem Catalysis · 2025-08-13
Jiaolong Meng, Xuefeng Jiang
Read original paper ↗ ·Machine learning application in thermal CO2 hydrogenation: catalyst design, process optimization, and mechanism insights
Advanced Powder Materials · 2025-08-21
Rasoul Salami, Tianlong Liu, Xue Han, Ying Zheng
Read original paper ↗ ·Catalytic Oxidation of Ethanol for Treatment of Commercially Produced Carbon Dioxide Using Aqueous Sol–Gel-Derived Catalyst Materials
Catalysts · 2025-08-26
Michael E. Zorn, Dean T. Tompkins, Ramsey Kropp, Walter A. Zeltner, Marc Arlen Anderson
Read original paper ↗ ·Bacteriogenic metallic and semiconducting nano-system as a potential sustainable solution for one health complexities
Advances in Colloid and Interface Science · 2025-08-29
Vishal Chaudhary, Sonu Sonu, Pankaj Raizada, Ajeet Kumar Kaushik
Read original paper ↗ ·Prospects of AI in advancing green hydrogen production: From materials to applications
Applied Physics Reviews · 2025-09-01
Doudou Zhang, Weisheng Pan, Haijiao Lu, Zhiliang Wang, Bikesh Gupta, Amanullah Maung Than Oo, Lianzhou Wang, Karsten Reuter, Haobo Li, Yijiao Jiang, Siva Krishna Karuturi
Read original paper ↗ ·Optimizing Model Learning Performance on a Challenging Heck Reaction Yield Data Set
The Journal of Organic Chemistry · 2025-09-03
Shen Wang, Yining Liu, Weiren Zhao, Yang Li
Read original paper ↗ ·A research database for experimental electrocatalysis: Advancing data sharing and reusability
The Journal of Chemical Physics · 2025-09-28
Ruchika Mahajan, Ashton M. Aleman, Colin Flynn Crago, Suman Bhasker-Ranganath, Melissa E. Kreider, Jose Andres Zamora Zeledon, Johanna Schröder, Gaurav Ashish Kamat, McKenzie A. Hubert, Adam C. Nielander, Thomas Francisco Jaramillo, Michaela Burke Stevens, Johannes Voss, Kirsten T. Winther
Read original paper ↗ ·Past, present, prospect: AI‐driven evolution of low‐dimensional material design for sustainable environmental solutions
Rare Metals · 2025-09-29
Bo-Ru Su, Jianqiao Liu, Dan Zhao, Di Wu, Chuqiao Hu, Peilun Qiu, Yanan Zhang, Ce Fu, Qianru Zhang
Read original paper ↗ ·Catalyst design strategies to overcome temperature constrained relationship in CO2-to-methanol conversion
Chemical Engineering Journal · 2025-10-01
Huayu Gu, Dongshuang Wu
Read original paper ↗ ·Generative Adversarial Network-Enhanced Heterogeneous Ensemble Learning for Interpretable Prediction of CO2-to-Methanol Catalyst Performance
Industrial & Engineering Chemistry Research · 2025-10-06
Qingchun Yang, Dongwen Rong, Zhao Wang, Qiwen Guo, Jingsong Guan, Yichun Dong, Huairong Zhou
Read original paper ↗ ·Bridging Dissolved Organic Matter Reactivity to Ozonation Catalysts for Cu@Al 2 O 3 from the Molecular Level by Machine Learning
Environmental Science & Technology · 2025-10-10
Liya Fu, Junkai Wang, Liyan Deng, Kairui Cheng, Xiuwei Ao, Changyong Wu
Read original paper ↗ ·Hierarchical regression approach for enhanced performance prediction of ammonia decomposition catalysts
Catalysis Today · 2025-10-14
Jisu Park, Jaeseok An, Su-Jin Kim, Yongju Yun
Read original paper ↗ ·Recent advances in generation of bioproducts from lignin: a comprehensive review
Discover Sustainability · 2025-10-14
Namdol Nilza, Menaka Devi Salam
Read original paper ↗ ·Artificial intelligence in chemical kinetics and reactor design
Elsevier eBooks · 2025-10-17
Seyid Zeynab Hashimzada, Farooq Sher, Mariam Ameen, Magdalena Joka Yildiz, Muhammad Kashif Iqbal Khan, Fatima Zafar, Lisandra Rocha‐Meneses
Read original paper ↗ ·Unveiling the Power of Proximity of Prevalent Fe-Based Tandem Catalysts in CO 2 Hydrogenation via Modified Fischer–Tropsch: Crucial Relations toward Industrialization
Chemical Reviews · 2025-10-22
Sara Najari, Samrand Saeidi, András Sápi, Zoltán Kónya, Gábor A. Somorjai
Read original paper ↗ ·Ultra-high selective adsorbents for per- and polyfluoroalkyl substances (PFAS) destruction: Bridging the gap between adsorption and catalytic degradation for excellent performance in persistent environmental contaminants
Results in Engineering · 2025-10-25
Tanusha Devi Elan Solan, Noorashikin Md Saleh, Shabbah Begum, Farhanini Yusoff
Read original paper ↗ ·Probing All‐Solid‐State Batteries with Real‐Time Synchrotron and Neutron Techniques
Advanced Energy Materials · 2025-10-29
Suzhe Liang, Yipeng Sun, Ya‐Jun Cheng, Stephan Volkher Roth, Peter Müller‐Buschbaum, Longsheng Cao, Jian Peng, Shuo Wang, Xueliang Andy Sun, Changhong Wang
Read original paper ↗ ·Multi-feature deep learning framework for predicting CO adsorption mechanisms at metal oxide interfaces: a transformer-based approach
Scientific Reports · 2025-10-31
Yu Yan
Read original paper ↗ ·Advances in nanocatalysts for biofuel production: Mechanisms, performance, and future perspectives
Materials Today Sustainability · 2025-11-05
Sherif Ishola Mustapha, Ifeanyi Michael Smarte Anekwe, Kabiru Bab Muritala, Yusuf Makarfi Isa
Read original paper ↗ ·Inverse ligand design: a generative data-driven model for optimizing vanadyl-based epoxidation catalysts
Journal of Catalysis · 2025-11-06
José Ferraz-Caetano, Filipe Teixeira, M. Natália D. S. Cordeiro, Tomoyuki Miyao
Read original paper ↗ ·Convergence of Computational Materials Science and AI for Next-Generation Energy Storage Materials
Journal of Electronic Materials · 2025-11-21
Xuexue Pan, Yuanlin Xie, Chujun Li, Yangyang He, Yitong Zhang, Yilin Wang, Zhichun Li, Peiyu Peng, Jun Wang
Read original paper ↗ ·Artificial intelligence-assisted design of molecularly imprinted polymers for enriching C-reactive protein
Materials Chemistry and Physics · 2025-11-25
Hilal Özçeli̇k, Emine Sezer, Esra Yaşar, Timuçin Güner, Emre Dokuzparmak, Sinan Akgöl
Read original paper ↗ ·Building Catalyst Exploration Highways by Integrating High‐Throughput and Machine Learning Technologies
Advanced Energy Materials · 2025-12-01
Xiaorui Liu, Jianghao Liang, Ziyi Wang, Qingyu Li, Yida Deng, Haozhi Wang
Read original paper ↗ ·A review on the role of artificial intelligence and data science in green and sustainable chemistry: current trends and futuristic pathways
Discover Chemical Engineering · 2025-12-04
Shailendra Yadav, Harish Chandra, Kanha Singh Tiwari, M.K. Bharty, Rishikesh Chandravanshi, Dheeraj Singh Chauhan, Mumtaz Ahmad Quraishi
Read original paper ↗ ·Machine learning-guided optimization of iron-based catalysts toward minimal-resource and efficient peroxymonosulfate activation for hazardous organic pollutants degradation
Journal of Hazardous Materials · 2025-12-13
Runjie Bao, Jun Ping Hu, Qiwen Guo, Zhao Wang, Qingchun Yang
Read original paper ↗ ·Based on machine learning prediction and experimental verification: The optimization of NH3-SCR performance on Ce/Co-modified MnNi catalysts
Journal of Hazardous Materials · 2025-12-23
Yue Zhu, Fengyu Gao, Yaxin Niu, Tingkai Xiong, Xinyu Xu, Honghong Yi, Shunzheng Zhao, Yuansong Zhou, Ya Wang, Xiaolong Tang
Read original paper ↗ ·Development of Machine Learning and Chemical Language Model‐Based QSAR Models for Predicting Drug Residue Depletion Half‐Lives in Plasma and Tissues of Cattle Across Various Administration Routes
Journal of Veterinary Pharmacology and Therapeutics · 2025-12-24
Zhicheng Zhang, Lisa Ann Tell, Zhoumeng Lin
Read original paper ↗ ·Fully automated and high-fidelity robotic platform enabling accelerated discovery of nanocatalysts
Chemical Science · 2025-12-30
Shin Wook Kang, Kyung Hee Oh, Kanghoon Yim, Sanha Jang, Jin Gyu Lee, Jung-Il Yang, Ji Chan Park
Read original paper ↗ ·Accelerating catalytic advancements through the precision of high-throughput experiments & calculations
Digital Discovery · 2026-01-01
Jenny G. Vitillo, Alán Aspuru‐Guzik, Eric J. Doskocil, Omar K. Farha, Timur İslamoğlu, Heather J. Kulik, Peter M. Margl, Stuart Miller, Jordan C. T. Reddel, Aayush R. Singh, Varinia Bernales
Read original paper ↗ ·AI-driven electrocatalysis: reinforcement learning-based control and theoretical modeling of the glycerol oxidation reaction
Energy & Environmental Science · 2026-01-01
Vladislav A. Mints, Maria‐Magdalena Titirici, Ifan E. L. Stephens
Read original paper ↗ ·Artificial Intelligence, Machine Learning, and High-Throughput Material Discovery Tools
World sustainability series · 2026-01-01
Praveen Kumar Verma, Hitesh Vasudev
Read original paper ↗ ·Catalysts screening and optimization
Elsevier eBooks · 2026-01-01
Hussein Kehinde Amusa, Ahmed Yusuf, Safique Anwer, Adewale Giwa
Read original paper ↗ ·Catalytic CO 2 hydrogenation toward net-zero fuels and chemicals
Chemical Society Reviews · 2026-01-01
Chengsheng Yang, Doudou Hu, Xiyue Yang, Ziyi Wang, Sai Chen, Chunlei Pei, Jinlong Gong
Read original paper ↗ ·Circular economy, life cycle assessment, and sustainability of waste derived catalysts
Elsevier eBooks · 2026-01-01
Shom Prakash Kushwaha, S. S. Hasan, Kuldeep Singh, Arun Kumar, Poonam Kushwaha, Abdul Hafeez, Manisha Pandey, Munendra Mohan Varshney, Hemendra Mishra, Pushpendra Soni
Read original paper ↗ ·Data-Driven Design of SAPO-11 Hydroisomerization Catalysts for Advanced Fuel Production through Interpretable Machine Learning
SSRN Electronic Journal · 2026-01-01
Fan Shao, Fengzhi Guo, Caiyun Wang, Jiaqi Liu, Jinxiao Sun, Zhanhao Shi, Jiaqing Bao, Yifan Xu, Yasong Zhou, Lu Gong, Wenbin Huang, Qiang Wei
Read original paper ↗ ·Data-driven strategies for decoding structure–reactivity relationships in porous electrocatalysis
Chemical Communications · 2026-01-01
Hao Wang, Zhiming Feng, Jie Yang, Yameng Ma, Wantong Jing, Zining Tang, Sai Li, Rui Tan
Read original paper ↗ ·Energy catalysis through high-entropy materials by experiment, computation, and artificial intelligence
Matter · 2026-01-01
Hao Deng, Li-Ming Yang
Read original paper ↗ ·