28 citations · 29 across the 4 of their papers we have counts for
3 papers · 1 filter
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…
Auto-resolving the atomic structure at van der Waals interfaces using a generative model
Wenqiang Huang, Yuchen Jin, Zhemin Li +12
The high-resolution visualization of atomic structures is significant for understanding the relationship between the microscopic configurations and macroscopic properties of materi…
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…