Global minima and structural properties of Au Fe nanoalloys from a Mexican Enhanced Genetic Algorithm-based Density Functional Theory
Manal A. Mohammed, Heider A. Abdulhussein, Muhsen Abood Muhsen Al‐Ibadi, Rajesh K. Raju, Roy L. Johnston
Topics & Concepts
Density functional theoryMaxima and minimaMaterials scienceStability (learning theory)SolubilityScale (ratio)MetalGenetic algorithmChemical physicsStatistical physicsAlgorithmComputational chemistryChemistryComputer sciencePhysicsPhysical chemistryMathematicsMachine learningMetallurgyQuantum mechanicsMathematical analysisnanoparticles nucleation surface interactionsMachine Learning in Materials ScienceAdvanced Chemical Physics Studies