Browsing School of Physics by Author "Nguyen, Vu Ha Anh"
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Predicting tensorial molecular properties with equivariant machine learning models
Lunghi, Alessandro; Nguyen, Vu Ha Anh (American Physical Society (APS), 2022)Embedding molecular symmetries into machine-learning models is key for efficient learning of chemico-physical scalar properties, but little evidence on how to extend the same strategy to tensorial quantities exists. Here ...