AI-powered exploration of molecular vibrations, phonons, and spectroscopy
Bowen Han, Ryotaro Okabe, Abhijatmedhi Chotrattanapituk, Mouyang Cheng, Mingda Li, Yongqiang Cheng
Abstract
High-quality training data, efficient structure representation, and flexible feature encoding are the three key components for successful AI-powered data-driven vibrations and spectra.
Topics & Concepts
PhononSpectroscopyVibrationPhysicsMaterials scienceCondensed matter physicsQuantum mechanicsSpectroscopy Techniques in Biomedical and Chemical ResearchVarious Chemistry Research Topics