Supervised deep learning prediction of the formation enthalpy of complex phases using a DFT database: The <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e425" altimg="si20.svg"><mml:mrow><mml:mi>σ</mml:mi><mml:mo>−</mml:mo></mml:mrow></mml:math>phase as an example
Jean‐Claude Crivello, Jean‐Marc Joubert, Nataliya Sokolovska
Topics & Concepts
Artificial intelligenceArtificial neural networkMachine learningTetragonal crystal systemBinary numberIntermetallicComputer scienceDatabaseDeep learningAlgorithmStandard enthalpy of formationPhase (matter)Materials scienceChemistryThermodynamicsPhysicsMathematicsArithmeticOrganic chemistryAlloyComposite materialMachine Learning in Materials ScienceX-ray Diffraction in CrystallographyCrystallography and molecular interactions