Machine learning accelerated study for predicting the lattice constant and substitution energy of metal doped titanium dioxide
Mingxi Jiang, Zihao Yang, Ting Lu, Xinjuan Liu, Jiabao Li, Chenglong Wang, Guang Yang, Likun Pan
Topics & Concepts
Materials scienceGradient boostingDopingDensity functional theoryBoosting (machine learning)Lattice constantComputationTitanium dioxideLattice (music)OxideMachine learningComputer scienceComputational chemistryAlgorithmPhysicsMetallurgyOptoelectronicsOpticsChemistryRandom forestAcousticsDiffractionMachine Learning in Materials ScienceAdvanced Photocatalysis TechniquesX-ray Diffraction in Crystallography