Machine-learning enabled thermodynamic model for the design of new rare-earth compounds
Prashant Singh, Tyler Del Rose, Guillermo Vazquez, Raymundo Arróyave, Yaroslav Mudryk
Topics & Concepts
Density functional theoryIntermetallicMaterials scienceMachine learningEnthalpyStability (learning theory)Artificial intelligenceMetastabilityThermodynamicsComputer scienceStatistical physicsComputational chemistryChemistryPhysicsMetallurgyQuantum mechanicsAlloyMachine Learning in Materials ScienceRare-earth and actinide compoundsX-ray Diffraction in Crystallography