Development of a machine-learning interatomic potential for uranium under the moment tensor potential framework
Hongjian Chen, Dingwang Yuan, Hua-Yun Geng, Wangyu Hu, Bowen Huang
Topics & Concepts
Density functional theoryUraniumInteratomic potentialTensor (intrinsic definition)Molecular dynamicsMoment (physics)Lattice (music)Materials scienceStatistical physicsChemistryThermodynamicsPhysicsComputational chemistryQuantum mechanicsMathematicsPure mathematicsAcousticsMetallurgyNuclear Materials and PropertiesMachine Learning in Materials ScienceRadioactive element chemistry and processing