Papers citing Automation and machine learning augmented by large language models in a catalysis study
A risk-based model for human-artificial intelligence conflict resolution in process systems
Digital Chemical Engineering · 2024
He Wen, Faisal Irshad Khan
Read original paper ↗ ·Application of graph neural network in computational heterogeneous catalysis
The Journal of Chemical Physics · 2024
Zihao Jiao, Ya Liu, Ziyun Wang
Read original paper ↗ ·A Well‐Advanced High‐Throughput Test System for Electrocatalytic Screening Applications Under Industrial Relevant Conditions – A Perspective to Accelerate Electrolysis Research and Development
Electrochemical Science Advances · 2024
Deniz Dogan, Burkhard Hecker, Xuehuai Hou, Inka Dessel, Andreas Müller, Guido Wasserschaff, S. Kocher, Violeta Karyofylli, Hans Kungl, Hermann Tempel, Rüdiger‐A. Eichel
Read original paper ↗ ·Engineering the Invisible
Advances in chemical and materials engineering book series · 2024
Krishnappa Madhu Kumar, Manjappa Kiran Kumar, Nivedita Kumar, L. Sampath Kumar
Read original paper ↗ ·AI and automation: democratizing automation and the evolution towards true AI-autonomous robotics
Chemical Science · 2025
Lauren Takahashi, Micke Kuwahara, KEISUKE G. TAKAHASHI
Read original paper ↗ ·Artificial intelligence-driven advances in photocatalytic hydrogen production
New Journal of Chemistry · 2025
Leandro Goulart de Araujo, David Farrusseng
Read original paper ↗ ·Digitalisation of catalytic processes for sustainable production of biobased chemicals and exploration of wider chemical space
Catalysis Science & Technology · 2025
Firdaus Parveen, Anna Grace Slater
Read original paper ↗ ·Generative AI in Spectroscopy
Progress in optical science and photonics · 2025
Debarati Nath, Sukanya Ghosh, Sayantani Bhattacharya, Praveenkumar Hiremath, Debajit Deb
Read original paper ↗ ·Large Language Model-Driven Knowledge Discovery for Designing Advanced Micro/Nano Electrocatalyst Materials
Computers, materials & continua/Computers, materials & continua (Print) · 2025
Ying Shen, Shichao Zhao, Yanfei Lv, Fei Chen, Li Fu, Hassan Karimi‐Maleh
Read original paper ↗ ·Material design accelerated by large language models: end-to-end empowerment from knowledge mining to intelligent design
Acta Physica Sinica · 2025
Yudan HUANG, Wanjun XIA, DU Junmei, Yu JIANG, Xin WANG, Yuanzheng CHEN, Hongyan WANG, ZHAO Jijun, Chunsheng GUO
Read original paper ↗ ·A new era in catalysis: Combining Al, DFT, single atom catalysis, and comprehensive characterizations applied to catalytic oxidation of C1-C4 volatile organic compounds
Journal of environmental chemical engineering · 2025
Suryamol Nambyaruveettil, Labeeb Ali, Mohammednoor Altarawneh
Read original paper ↗ ·Large language models for reticular chemistry
Nature Reviews Materials · 2025
Zhiling Zheng, Nakul Rampal, Théo Jaffrelot Inizan, Christian Borgs, Jennifer Chayes, Omar M. Yaghi
Read original paper ↗ ·AI in single-atom catalysts: a review of design and applications
Journal of Materials Informatics · 2025
Qijun Yu, Ninggui Ma, Chihon Leung, Han Liu, Yang Ren, Zhanhua Wei
Read original paper ↗ ·Modeling the impact of structure and coverage on the reactivity of realistic heterogeneous catalysts
Nature Chemical Engineering · 2025
Benjamin W. J. Chen, Manos Mavrikakis
Read original paper ↗ ·Recent developments in the use of machine learning in catalysis: A broad perspective with applications in kinetics
Chemical Engineering Journal · 2025
Leandro Goulart de Araujo, Léa Vilcocq, Pascal Fongarland, Yves Schuurman
Read original paper ↗ ·Interpretable physics-informed machine learning approaches to accelerate electrocatalyst development
Journal of Materials Informatics · 2025
Hao Wu, Mingxuan Chen, Hao Cheng, Tong Yang, Minggang Zeng, Ming Yang
Read original paper ↗ ·Solvent Screening for Separation Processes Using Machine Learning and High-Throughput Technologies
Chem & Bio Engineering · 2025
Justin P. Edaugal, Difan Zhang, Dupeng Liu, Vassiliki‐Alexandra Glezakou, Ning Sun
Read original paper ↗ ·Leveraging Prompt Engineering in Large Language Models for Accelerating Chemical Research
ACS Central Science · 2025
Feifei Luo, Jinglang Zhang, Qilong Wang, Chunpeng Yang
Read original paper ↗ ·Machine learning-based design of electrocatalysts and catalytic mechanism research
Scientia Sinica Chimica · 2025
Kexiang Guo, Xinyu Fan, Letian Chen, Xu Zhang, Zhen Zhou
Read original paper ↗ ·Intelligent Systems for Inorganic Nanomaterial Synthesis
Nanomaterials · 2025
Cunhao Han, Xinghua Dong, Wang Zhang, Xiaoxia Huang, Linji Gong, Chunjian Su
Read original paper ↗ ·Machine Learning for Developing Sustainable Polymers
Chemistry - A European Journal · 2025
Ziyu Huo, Xiaoyu Xie, Rong Tong
Read original paper ↗ ·Using machine learning to guide the synthesis of supported palladium catalysts with desired palladium dispersion
Journal of Catalysis · 2025
Kubra Tiras, Burcu Oral, Nazlınur Koparipek-Arslan, Sıla Alemdar, Ramazan Yıldırım, Alper Uzun
Read original paper ↗ ·Language models for materials discovery and sustainability: Progress, challenges, and opportunities
Progress in Materials Science · 2025
Zongrui Pei, Junqi Yin, Jiaxin Zhang
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 ↗ ·Empowering Generalist Material Intelligence with Large Language Models
Advanced Materials · 2025
Wenhao Yuan, Guangyao Chen, Zhilong Wang, Fengqi You
Read original paper ↗ ·AI in Mental Health: A Review of Technological Advancements and Ethical Issues in Psychiatry
Issues in Mental Health Nursing · 2025
Utsav Poudel, Sachin Jakhar, M. Prakash, Anuj Nepal
Read original paper ↗ ·From lab to fab: A large language model for chemical engineering
CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) · 2025
Jibin Zhou, Feiyang Xu, Zhijun Chang, Duiping Liu, Lulu Li, Lulu Li, Jian Cui, Xin Li, Qian Li, Xin Li, Li Qian, Zhixiong Zhang, Guoping Hu, Mao Ye, Zhongmin Liu
Read original paper ↗ ·Natural-Language-Interfaced Robotic Synthesis for AI-Copilot-Assisted Exploration of Inorganic Materials
Journal of the American Chemical Society · 2025
Lin Jian Huang, Chao Zhang, Yun Zhi Fu, Yibin Jiang, Enyu He, Ming‐Qiang Qi, Ming‐Hao Du, Xiang‐Jian Kong, Jun Jie Cheng, Leroy Cronin, Cheng Wang
Read original paper ↗ ·Synergizing a knowledge graph and large language model for relay catalysis pathway recommendation
National Science Review · 2025
Feng Fu, Qingqing Li, Fangrong Wang, Jie Hu, Tiantian Wang, Yun‐Pei Liu, Weihong Xu, Zhili Lin, Fu‐Qiang Gong, Qiyuan Fan, Jeff Z. Pan, Ye Wang, Jun Jie Cheng
Read original paper ↗ ·Harnessing Higher Generative Artificial Intelligence for Educational Pedagogy
Advances in computational intelligence and robotics book series · 2025
Daniel Emakporuena, Victor Omoboye Oluwasegun, Ogheneruona Maria Esegbona-Isikeh, Williams Ogochukwu Ugbomeh, Morgan Nwaiku, Eboesomi Esther Bunmi, Oluyemisi Adenike Oyedemi, Ugochukwu Okwudili Matthew
Read original paper ↗ ·The hidden engine of AI in electrocatalysis: Databases and knowledge graphs at work
Molecular Chemistry & Engineering · 2025
Di Zhang, Hao Li
Read original paper ↗ ·Advances in Gasoline Hydrodesulfurization Catalysts: The Role of Structure–Activity Relationships and Machine Learning Approaches
ACS Omega · 2025
Honglei Sun, Chao Chen, Ran Zhang, Yang Li, Shaohui Ge, Peng Cui
Read original paper ↗ ·Transforming Catalysis with Machine Learning: Emerging Tools and Next-Gen Strategies
ACS Applied Materials & Interfaces · 2025
Pengxin Pu, Haisong Feng, Xin Li Song, Si Wang, Jie J. Bao, Xin Zhang
Read original paper ↗ ·Autonomous Materials Synthesis Laboratories: Integrating Artificial Intelligence with Advanced Robotics for Accelerated Discovery
ChemRxiv · 2025
Yuze Hao, Lan Duo, Jinlu He
Read original paper ↗ ·Atomic-scale characterization: a review of advances in microscopy, spectroscopy, and machine learning
Journal of Materials Science Composites · 2025
Obinna Onyebuchi Barah, Mushabe David, Malisaba Joseph
Read original paper ↗ ·Revealing the Impact of Aggregations in the Graph‐Based Molecular Machine Learning: Electrostatic Interaction Versus Pooling Methods
Advanced Theory and Simulations · 2025
Sanghoon Lee, Hyun Woo Kim
Read original paper ↗ ·Large language model guided automated reaction pathway exploration
Communications Chemistry · 2025
Ruzhao Chen, Yubang Liu, Zhe Chen, Yinwu Li, Fei Yang, Jiaxin Lin, Zhuofeng Ke
Read original paper ↗ ·Large Language Models for Heterogeneous Catalysis
Wiley Interdisciplinary Reviews Computational Molecular Science · 2025
Yiwen Yao, Jinbo Zhu, Yan Liu, Guanpeng Ren, Xiaoyan Li, Pengfei Ou
Read original paper ↗ ·Recent Advances in CO (2) Electroreduction Driven by Artificial Intelligence and Machine Learning
Advanced Energy Materials · 2025
Yuanyuan Xue, Lijuan Zhang, Gengfeng Zheng
Read original paper ↗ ·Application of machine learning methods in the metallurgical industry: A bibliometric analysis and systematic literature review
Mineral Processing and Extractive Metallurgy Transactions of the Institutions of Mining and Metallurgy · 2025
Marco Antonio Cotrina Teatino, Jairo Jhonatan Marquina Araujo, Jose Nestor Mamani-Quispe, Solio Marino Arango-Retamozo, Hans Roger Portilla Rodríguez, Flavio A Lezcano-Montoya, Jorge A Woolcott-Honores
Read original paper ↗ ·AI Design for High Entropy Alloys: Progress, Challenges and Future Prospects
Metals · 2025
Enzhi Xie, Chao Yang
Read original paper ↗ ·A research database for experimental electrocatalysis: Advancing data sharing and reusability
The Journal of Chemical Physics · 2025
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 ↗ ·Artificial intelligence in materials science and chemistry: Past, present and future trajectories
Materials Today Chemistry · 2025
Etinosa Osaro, Nell Karpinski, Sonia Alornyo, Joshua O. Ighalo
Read original paper ↗ ·Atomic Coordination Regulation in Electronic Structure of Electrocatalysts
Small · 2025
Hua Fan, Guangyao Zhao, Kaisheng Zou, Qimei Yang, Tangfei Zheng, Jian Wang, Wei Ding
Read original paper ↗ ·Empowering scientific discovery with explainable small domain-specific and large language models
Artificial Intelligence Review · 2025
Hengjie Yu, Yizhi Wang, Tao Cheng, Yan Yan, Kenneth A. Dawson, Sam Fong Yau Li, Yefeng Zheng, Yaochu Jin
Read original paper ↗ ·Artificial intelligence in chemical kinetics and reactor design
Elsevier eBooks · 2025
Seyid Zeynab Hashimzada, Farooq Sher, Mariam Ameen, Magdalena Joka Yildiz, Muhammad Kashif Iqbal Khan, Fatima Zafar, Lisandra Rocha‐Meneses
Read original paper ↗ ·AI-Accelerated Discovery of Electrocatalyst Materials
ACS Materials Au · 2025
Yifan Zeng, Jun Wang, Fengwang Li, Tongliang Liu, Aoni Xu
Read original paper ↗ ·Machine Learning for Accelerating Energy Materials Discovery: Bridging Quantum Accuracy with Computational Efficiency
Advanced Energy Materials · 2025
Kwang S. Kim
Read original paper ↗ ·MXenes for CO2 conversion to fuel: correlation between atomistic simulation, experimental and artificial intelligence
Elsevier eBooks · 2025
Sunil Kumar, Nikhil Kumar, Roshan Kumar, Sanjana Sahu, Ranjan K. Sahu
Read original paper ↗ ·AI driven electrochemical interface design: Development and economic evaluation of low-cost electrode materials based on the 'structure-activity consumption' model
Journal of environmental chemical engineering · 2025
Tingfa Zhou, Peng Gui, Chao Hu, Weihua Xiao, Dong Liu, Zhiping Wang
Read original paper ↗ ·