3 papers
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…
physics.chem-ph2024
A Physics-informed Sheaf Model
Chuan-Shen Hu, Xiang Liu, Kelin Xia
Normal mode analysis (NMA) provides a mathematical framework for exploring the intrinsic global dynamics of molecules through the definition of an energy function, where normal mod…
cs.LG2023
Torsion Graph Neural Networks
Cong Shen, Xiang Liu, Jiawei Luo +1
Geometric deep learning (GDL) models have demonstrated a great potential for the analysis of non-Euclidian data. They are developed to incorporate the geometric and topological inf…