We address the long-standing question of the nature of oxygen vacancies in strontium
titanate, using a combination of density functional theory and dynamical mean-field theory …

The effective interaction of downfolded low-energy models for electrons in solids can be
obtained by integrating out the high energy bands away from the target band near the Fermi …

Quantum many-body system is principally a complicated problem with high complexity,
where emergent phenomena are hidden behind strong correlations beyond the mean-field …

Accurate first-principles calculations can provide valuable predictions for material-specific
properties as well as simplified models for interpreting materials' behavior. However, the …