Validation workflow for machine learning interatomic potentials for complex ceramics
Kimia Ghaffari, Salil Bavdekar, Douglas E. Spearot, Ghatu Subhash
Topics & Concepts
WorkflowCeramicComputer scienceInteratomic potentialMaterials scienceChemistryDatabaseMolecular dynamicsMetallurgyComputational chemistryMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyAdvanced X-ray and CT Imaging