Soft and transferable pseudopotentials from multi-objective optimization
Mostafa Faghih Shojaei, John E. Pask, Andrew J. Medford, Phanish Suryanarayana
Topics & Concepts
PseudopotentialTransferabilityBravais latticeComputer scienceLattice (music)Pareto principleRange (aeronautics)Multi-objective optimizationPeriodic tableStatistical physicsAlgorithmMathematical optimizationMathematicsPhysicsMaterials scienceChemistryMachine learningQuantum mechanicsLogitCrystal structureComposite materialCrystallographyAcousticsMachine Learning in Materials ScienceAdvanced Chemical Physics StudiesCatalysis and Oxidation Reactions