Dispersion-Corrected Atom-Centered Potentials for Phosphorous

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Dispersion-Corrected Atom-Centered Potentials for Phosphorous

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Charge multipole correlations and order in Cs2TaCl6

Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI3 two-dimensional magnets

Correlation properties of a one-dimensional repulsive Bose gas at finite temperature

Many-body screening effects in liquid water

Self-Interaction and Polarons in Density Functional Theory

Salt Bridge Structure of Microhydrated Arginine Kinetically Trapped in the Gas Phase by Evaporative Cooling

Microscopic picture of paraelectric perovskites from structural prototypes

Characterization and prediction of peptide structures on inorganic surfaces

Assessing the persistence of chalcogen bonds in solution with neural network potentials

Polarons free from many-body self-interaction in density functional theory

Influence of static correlation on the magnon dynamics of an itinerant ferromagnet with competing exchange interactions: First-principles study of MnBi