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cs.LG2025
Quotient Complex Transformer (QCformer) for Perovskite Data Analysis
Xinyu You, Xiang Liu, Chuan-Shen Hu +2
The discovery of novel functional materials is crucial in addressing the challenges of sustainable energy generation and climate change. Hybrid organic-inorganic perovskites (HOIPs…
cs.LG2024
Molecule Graph Networks with Many-body Equivariant Interactions
Zetian Mao, Chuan-Shen Hu, Jiawen Li +5
Message passing neural networks have demonstrated significant efficacy in predicting molecular interactions. Introducing equivariant vectorial representations augments expressivity…