Finite-Size Supercell Correction for Charged Defects at Surfaces and Interfaces

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Finite-Size Supercell Correction for Charged Defects at Surfaces and Interfaces

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Electronic Structure of Water from Koopmans-Compliant Functionals

Static and dynamic properties of non-collinear quantum antiferromagnets explored by neutron scattering

Stoichiometry modulates the optoelectronic functionality of Zinc Phosphide (Zn3-xP2+x)

Deep defects in InGaN LEDs: modeling the impact on the electrical characteristics

Interaction of Confined Polaritons in Microcavity Structures

Beyond potentials: Integrated machine learning models for materials

Transferable machine-learning models of complex materials: the case of GaAs

Engineering and characterizing nonclassical states of light in quantum optical networks

Extensive Benchmarking of DFT+U Calculations for Predicting Band Gaps

Non-classical photon-phonon correlations at room temperature

Catalyzing Bond-Dissociation in Graphene via Alkali-Iodide Molecules