An adaptive design approach for defects distribution modeling in materials from first-principle calculations
Maicon Pierre Lourenço, Alexandre dos Santos Anastácio, Andréia Luísa da Rosa, Thomas Frauenheim, Maurício Chagas da Silva
Topics & Concepts
Computer scienceGaussianKrigingStability (learning theory)Biological systemSpace (punctuation)Surrogate modelFirst principleSample (material)Process (computing)Configuration spaceStatistical physicsMaterials scienceAlgorithmMachine learningDensity functional theoryComputational chemistryChemistryPhysicsOperating systemQuantum mechanicsBiologyChromatographyMachine Learning in Materials ScienceCrystallization and Solubility StudiesX-ray Diffraction in Crystallography