Machine learning glass transition temperature of polyacrylamides using quantum chemical descriptors
Yun Zhang, Xiaojie Xu
Abstract
Polyacrylamides glass transition temperature predictions from different models, where the GPR model is from the current study. The GPR model based on quantum chemical descriptors shows a high degree of accuracy.
Topics & Concepts
Glass transitionQuantum chemicalQuantumDegree (music)ChemistryPhysicsPolymerQuantum mechanicsOrganic chemistryMoleculeAcousticsSpectroscopy and Quantum Chemical StudiesMachine Learning in Materials ScienceSpectroscopy and Chemometric Analyses