Development of an interatomic potential for Fe-He by neural network
Hang Min, Feifeng Wu, Jiaqiang Yang, Xianbao Duan, Yanwei Wen, Feng Xie, Bin Shan
Topics & Concepts
HeliumAb initioAtom (system on chip)Molecular dynamicsInteratomic potentialAb initio quantum chemistry methodsBinding energyAtomic physicsHelium atomMaterials scienceAtomic unitsMatrix (chemical analysis)ChemistryMolecular physicsChemical physicsComputational chemistryPhysicsOrganic chemistryQuantum mechanicsComposite materialComputer scienceMoleculeEmbedded systemFusion materials and technologiesNuclear Materials and PropertiesNuclear Physics and Applications