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Ferdawss Ihiri

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Open access Sep 2026

Quantum-Chemically Informed Representation Learning for Molecular Crystal Property Prediction via Multimodal Graph Neural Networks

Analysis of the learned representations reveals that QTAIM descriptors contribute interpretable signals associated with intermolecular interactions and density redistribution within the crystal, highlighting the value of quantum-informed learning for advancing data-driven solid-state modeling.

Ferdawss Ihiri, M. Garcia-Garibay, Anastassia N. Alexandrova · 0 citations

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