Reliability of semiempirical and DFTB methods for the global optimization of the structures of nanoclusters
Breno R. L. Galvão, Luı́s P. Viegas, Dennis R. Salahub, Maicon Pierre Lourenço
Topics & Concepts
Benchmark (surveying)NanoclustersParametrization (atmospheric modeling)Yield (engineering)Computer scienceGlobal optimizationReliability (semiconductor)Set (abstract data type)Mathematical optimizationAlgorithmMathematicsNanotechnologyMaterials sciencePhysicsQuantum mechanicsProgramming languageGeographyPower (physics)MetallurgyGeodesyRadiative transferAdvanced Chemical Physics StudiesMachine Learning in Materials ScienceComputational Drug Discovery Methods