Machine learning-assisted exploration of thermally conductive polymers based on high-throughput molecular dynamics simulations
Ruimin Ma, Hanfeng Zhang, Jiaxin Xu, Luning Sun, Yoshihiro Hayashi, Ryo Yoshida, Junichiro Shiomi, Jianxun Wang, Tengfei Luo
Topics & Concepts
Thermal conductivityMaterials sciencePolymerConductivityThermal conductionMolecular dynamicsWork (physics)Conductive polymerAmorphous solidMachine learningThermodynamicsComputer scienceComposite materialPhysicsComputational chemistryPhysical chemistryOrganic chemistryChemistryMachine Learning in Materials ScienceThermal properties of materialsFuel Cells and Related Materials