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High-performance computing approach to hybrid functionals in the all-electron DFT code FLEUR /
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High-throughput all-electron density functional theory simulations for a data driven chemical interpretation of X-ray photoelectron spectra /
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Topological properties of complex magnets from an advanced ab-initio Wannier description /
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First-principles study on pyrites and marcasites for photovoltaic application /
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Extending the precision and efficiency of the all-electron full-potential linearized augmented plane-wave density-functional theory method /
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Development and application of a massively parallel KKR green function method for large scale systems /
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Heyd-Scuseria-Ernzerhof screened-exchange hybrid functional for complex materials : all-electron implementation and application /
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Orbital-dependent exchange-correlation functionals in density-functional theory realized by the FLAPW method /
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High-resolution simulations of strongly coupled Coulomb systems with a parallel tree code /
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Real-space finite-difference PAW method for large-scale applications on massively parallel computers /
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Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory /
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Ab initio investigations of magnetic properties of ultrathin transition-metal films on 4d substrates /
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