Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations

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Functional Extrapolations to Tame Unbound Anions in Density-Functional Theory Calculations

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koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals

A recipe for cracking the quantum scaling limit with machine learned electron densities

Disentangling Thermal from Electronic Contributions in the Spectral Response of Photoexcited Perovskite Materials

Composition and Element Distribution Mapping of γ′ and γ" Phases of Inconel 718 by High-Resolution Scanning Transmission Electron Microscopy and X-ray Energy-Dispersive Spectrometry

Magnetic orderings and electronic structure of complex oxides from advanced Hubbard functionals

Spectral and thermodynamic properties of interacting electrons with dynamical functionals

Plasmonic effects in the neutralization of slow ions at a metallic surface

The convexity condition of density-functional theory

Many-body screening effects in liquid water

Self-Assembly of N-Rich Triimidazoles on Ag(111): Mixing the Pleasures and Pains of Epitaxy and Strain

Five-Membered Rings Create Off-Zero Modes in Nanographene