Predicting glass transition temperature of polymers by combining molecular dynamics simulations and machine learning techniques
Siqi Zhan, Wanhui Huang, Caibo Dong, Qionghai Chen, Hengheng Zhao, Pengwei Duan, Anwen Hu, Qian Li, Ying Li, Jun Liu, Liqun Zhang, Liqun Zhang
Topics & Concepts
Materials scienceGlass transitionMolecular dynamicsPolymerDynamics (music)Chemical physicsStatistical physicsNanotechnologyComposite materialComputational chemistryChemistryAcousticsPhysicsPolymer crystallization and propertiesMaterial Dynamics and PropertiesPolymer Nanocomposites and Properties