Batch active learning for accelerating the development of interatomic potentials
Nathan M. Wilson, Daniel Willhelm, Xiaoning Qian, Xiaoning Qian, Raymundo Arróyave, Xiaofeng Qian, Xiaofeng Qian
Topics & Concepts
Interatomic potentialChemical physicsMaterials scienceChemistryComputer scienceNanotechnologyMolecular dynamicsEngineering physicsComputational chemistryPhysicsMachine Learning in Materials ScienceElectronic and Structural Properties of OxidesFerroelectric and Negative Capacitance Devices