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RESEARCH PAPER · Energy Advances · 2023

Machine learning in energy chemistry: introduction, challenges and perspectives

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42 direct citing works

Machine learning in energy chemistry: introduction, challenges and perspectivesOriginalComputational modeling guided design of metal–organic frameworks for photocatalysis – a mini review10Enhancing glucose classification in continuous flow hydrothermal biomass liquefaction streams through generative AI and IR spectroscopy7MatGPT: A Vane of Materials Informatics from Past, Present, to Future74NestedAE: interpretable nested autoencoders for multi-scale materials characterization3A machine learning approach for predicting the reactivity power of hypervalent iodine compounds7Machine Learning for Quantitative Structural Information from Infrared Spectra: The Case of Palladium Hydride13Exploring Optimized Organic Fluorophore Search Through Simple Experimental Data-Driven VAE1Exploring Optimized Organic Fluorophore Search Through Simple Experimental Data-Driven VAE1Recent advances in artificial intelligence boosting materials design for electrochemical energy storage124Attention towards chemistry agnostic and explainable battery lifetime prediction24A brief overview of deep generative models and how they can be used to discover new electrode materials8TransTg: a new transformer model for predicting glass transition temperature of polymers from monomers’ molecular structures12Advanced carbon nanomaterials for high-performance energy storage technologies8Determining the structure of functionalized graphene for tailored thermomechanical properties using ML techniques1Integrating artificial intelligence in energy transition: A comprehensive review248A Helping Hand: A Survey About AI-Driven Experimental Design for Accelerating Scientific Research5Performance Prediction Models with Improved Accuracy and Generalizability for Organic Cathode‐Active Materials of Lithium‐Ion Battery227Chapter 2 Machine learning applications in material science: unveiling innovative solutions1Exploring Optimized Organic Fluorophore Search through Experimental Data-Driven Adaptive β-VAE10Machine Learning Boosted Quantum-Profiling of Blood Antigens3Shining a light on benzo[c][1,2,5]thiadiazole photocatalysts6Bio-inspired Magnetic Helical Miniature Robots: Mechanisms, Control and Biomedical Applications8Artificial intelligence in chemical engineering and applied sciences education0Designing AI-powered user-centric platforms for energy consumption and carbon footprint reduction3Review on Recent Development of Artificial Intelligence and Machine Learning Approaches in Energy Applications0In-situ coordination defects in metal oxides: chemical perspectives and operando characterization for high-performance multivalent-ion energy storage7Comparison of Aspen Plus and Machine Learning for Syngas Composition Prediction in Biomass Gasification1From atoms to systems: machine learning in the clean energy materials revolution1Machine learning for cracking the molecular code of room-temperature organic phosphorescent materials: From structure-property relationship to performance prediction0Miedema-based formation enthalpy criteria and strategies for optimizing hydrogen storage performance in rare-earth-magnesium hydrides: A review0

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  2. Enhancing glucose classification in continuous flow hydrothermal biomass liquefaction streams through generative AI and IR spectroscopy

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  3. MatGPT: A Vane of Materials Informatics from Past, Present, to Future

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  4. NestedAE: interpretable nested autoencoders for multi-scale materials characterization

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  5. A machine learning approach for predicting the reactivity power of hypervalent iodine compounds

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  6. Machine Learning for Quantitative Structural Information from Infrared Spectra: The Case of Palladium Hydride

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  7. Exploring Optimized Organic Fluorophore Search Through Simple Experimental Data-Driven VAE

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  8. Exploring Optimized Organic Fluorophore Search Through Simple Experimental Data-Driven VAE

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  17. Performance Prediction Models with Improved Accuracy and Generalizability for Organic Cathode‐Active Materials of Lithium‐Ion Battery

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  18. 27Chapter 2 Machine learning applications in material science: unveiling innovative solutions

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  19. Exploring Optimized Organic Fluorophore Search through Experimental Data-Driven Adaptive β-VAE

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  20. Machine Learning Boosted Quantum-Profiling of Blood Antigens

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  21. Shining a light on benzo[c][1,2,5]thiadiazole photocatalysts

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