alloys band-structure condensed-matter-physics dft-fit disorder electronic-structure physics python simulation slater-koster solid-state-physics tight-binding topology

Mathematics (32%)

band-structure computational-materials-science density-functional-theory density-of-states electronic-structure forschungszentrum-juelich high-throughput judft materials-informatics parsing toolkit utility visualization

ab-initio aiida all-electron band-structure coherent-potential-approximation computational-materials-science condensed-matter-physics defects density-functional-theory electronic-structure forschungszentrum-juelich full-potential greens-functions high-throughput judft kkr magnetism multiple-scattering superconductivity workflow

ab-initio aiida all-electron band-structure computational-materials-science condensed-matter-physics density-functional-theory electronic-structure forschungszentrum-juelich full-potential high-throughput judft kohn-sham magnetism plane-wave spintronics workflow

arpes band-structure electron-spectroscopy fitting inference machine-learning markov-random-field materials-informatics materials-science mpes photoemission probabilistic-graphical-models reconstruction

arpes band-structure benchmarks condensed-matter-physics feature-extraction high-performance-computing lineshape lineshape-fitting materials-informatics materials-science photoemission spectral-imaging

band-structure coupling electronic-structure exchange-interaction excitation magnetism susceptibility tight-binding