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Structural, electronic, and magnetic properties of europium films
Raw data used for the manuscript: "Structural, electronic, and magnetic properties of Europium films epitaxially grown on W(110)" published in Physical Review B. This study... -
Numerical data for "Fragility of the magnetic order in the prototypical alter...
This dataset contains the numerical data accompanying the "Fragility of the magnetic order in the prototypical altermagnet RuO2" paper.Computations were performed using VASP... -
Universal symmetry-protected persistent spin textures in noncentrosymmetric c...
In this work we do a full classification of symmetry-protected persistent spin textures in 230 space groups of nonmagnetic materials using representation theory, and propose 3... -
ML-ready Curie temperatures and descriptors extracted from the JuHemd database
The uploaded archive provides a ML-ready data set extracted from the juHemd database (see references) augmented with supplemental data for atomic descriptors. Descriptors... -
Radial spin texture of the Weyl fermions in chiral tellurium
In the present record we provide the theoretical calculations used in the article: G. Gatti et al., Radial Spin Texture of the Weyl Fermions in Chiral Tellurium, Phys. Rev.... -
Koopmans spectral functionals: an open-source periodic-boundary implementation
Koopmans' spectral functionals aim to describe simultaneously ground state properties and charged excitations of atoms, molecules, nanostructures and periodic crystals. This is... -
Koopmans spectral functionals: an open-source periodic-boundary implementation
Koopmans' spectral functionals aim to describe simultaneously ground state properties and charged excitations of atoms, molecules, nanostructures and periodic crystals. This is... -
Pushing the limits of the donor-acceptor copolymer strategy for intramolecula...
Donor–acceptor (D–A) copolymers have shown great potential for intramolecular singlet fission (iSF). Nonetheless, very few design principles exist for optimizing these systems... -
Testing Koopmans spectral functionals on the analytically-solvable Hooke's atom
Koopmans spectral functionals are a class of orbital-density-dependent functionals designed to accurately predict spectroscopic properties. They do so markedly better than their... -
Testing Koopmans spectral functionals on the analytically-solvable Hooke's atom
Koopmans spectral functionals are a class of orbital-density-dependent functionals designed to accurately predict spectroscopic properties. They do so markedly better than their... -
Testing Koopmans spectral functionals on the analytically-solvable Hooke's atom
Koopmans spectral functionals are a class of orbital-density-dependent functionals designed to accurately predict spectroscopic properties. They do so markedly better than their... -
Data publication: Impact of electronic correlations on high-pressure iron: in...
Simulation and literature data on the electrical and thermal conductivity of high-pressure iron. The raw simulation data was generated from time-dependent density functional...
