Polymers simulation using machine learning interatomic potentials
Teng Long, Li Jia, Chenlu Wang, Hua Wang, Xiao Cheng, Haifeng Lu, Ying Zhang, Chuanjian Zhou
Topics & Concepts
PolymerInteratomic potentialComputer scienceMaterials scienceStatistical physicsChemical physicsPolymer scienceMolecular dynamicsChemistryComputational chemistryPhysicsComposite materialMachine Learning in Materials ScienceComputational Drug Discovery MethodsFuel Cells and Related Materials