Zhuo-Song Xie

Response-state Learning for Transferable Vibrational Spectroscopic Characterization with Electron Prior

Vibrational spectral prediction can become inaccurate when localized stereoelectronic environments perturb intermediate response states and high-risk response units dominate characteristic spectral fingerprints, making prediction across external chemical space difficult. SO(3) Equivariant Neural Kalman Networks (SENK)...