30 citations · 62 across the 8 of their papers we have counts for
4 papers · 1 filter
Uni-XAS: Alignment-Driven Bidirectional Multimodal Learning for X-ray Absorption Spectroscopy
Suyang Zhong, Yuhao Zhao, Boying Huang +6
X-ray absorption spectroscopy (XAS) is a key technique for probing local atomic environments, yet learning based modeling must bridge two heterogeneous modalities: 1D continuous sp…
Solving the inverse problem of X-ray absorption spectroscopy via physics-informed deep learning
Suyang Zhong, Boying Huang, Pengwei Xu +6
Resolving transient atomic configurations in non-crystalline or dynamic environments remains a fundamental bottleneck in the physical sciences. While X-ray absorption spectroscopy…
NMRPeak: a ready-to-use intelligent system for molecular structure elucidation enabled by synergistic cross-modal learning
Fanjie Xu, Jinyuan Hu, Jingxiang Zou +8
One-dimensional nuclear magnetic resonance (NMR) spectroscopy is essential for molecular structure elucidation in organic synthesis, drug discovery, natural product characterizatio…
Revealing the molecular structures of a-Al2O3(0001)-water interface by machine learning based computational vibrational spectroscopy
Xianglong Du, Weizhi Shao, Chenglong Bao +3
Solid-water interfaces are crucial to many physical and chemical processes and are extensively studied using surface-specific sum-frequency generation (SFG) spectroscopy. To establ…