2 papers
physics.chem-ph2025
DiffNMR: Diffusion Models for Nuclear Magnetic Resonance Spectra Elucidation
Qingsong Yang, Binglan Wu, Xuwei Liu +5
Nuclear Magnetic Resonance (NMR) spectroscopy is a central characterization method for molecular structure elucidation, yet interpreting NMR spectra to deduce molecular structures…
cond-mat.mtrl-sci2025
Monolayer Two-dimensional Materials Database (ML2DDB) and Applications
Zhongwei Liu, Zhimin Zhang, Xuwei Liu +5
The discovery of two-dimensional (2D) materials with tailored properties is critical to meet the increasing demands of high-performance applications across flexible electronics, op…