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Machine learning-driven materials discovery: Unlocking next-generation functional materials – A review

Dilshod Nematov, Mirabbos Hojamberdiev

2025Computational Condensed Matter21 citationsDOIOpen Access PDF

Topics & Concepts

Computer scienceArtificial intelligenceMachine learningPipeline (software)Field (mathematics)Deep learningKey (lock)Bayesian optimizationMaterials informaticsSystems engineeringArtificial neural networkProperty (philosophy)HyperparameterFeature (linguistics)Generative grammarGraphRoboticsData scienceApplications of artificial intelligenceBayesian networkBiomedicineMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyComputational Drug Discovery Methods
Machine learning-driven materials discovery: Unlocking next-generation functional materials – A review | Litcius