Bringing Massive Parallelism and Hardware Acceleration to Linear Scaling Density Functional Theory Through Targeted Approximations
Elektronische Ressource, Paderborn, 2022
Impact of hydrophobicity and confinement on the structure and dynamics of water at interfaces
Elektronische Ressource, Paderborn, 2023Implementing Meta-GGA functionals in PAW formalism and applications in molecular and nanoscale thin-film systems
Elektronische Ressource, Paderborn, 2024Synthesis and characterization of multichromophoric iron(II) complexes as novel photosensitizers
Elektronische Ressource, Paderborn, 2022