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Progress in machine learning interatomic potential and its applications in materials science

Liang Zhang, Yuxuan Wan, Yasushi Shibuta, Xiaoxu Huang

2025Progress in Natural Science Materials International6 citationsDOI

Topics & Concepts

Interatomic potentialMachine learningComputer scienceArtificial intelligenceField (mathematics)Construct (python library)Molecular dynamicsComputational modelExperimental dataComputational simulationDevelopment (topology)Computational scienceForce field (fiction)Computational learning theoryAtomic unitsMaterial propertiesStatistical physicsNanotechnologyScale (ratio)Materials sciencePotential fieldAlgorithmComputational mechanicsMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionAdvanced Electron Microscopy Techniques and Applications
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