4 papers
High-Throughput-Screening Workflow for Predicting Volume Changes by Ion Intercalation in Battery Materials
Aljoscha Felix Baumann, Daniel Mutter, Daniel F. Urban +1
Mechanical stresses and strains developing locally within the microstructure of active ion-battery-electrode materials during charge-discharge cycles can compromise their long-term…
Variational quantum-algorithm based self-consistent calculations for the two-site DMFT model on noisy quantum computing hardware
Jannis Ehrlich, Daniel Urban, Christian Elsässer
Dynamical Mean Field Theory (DMFT) is one of the powerful computational approaches to study electron correlation effects in solid-state materials and molecules. Its practical appli…
Coherence properties of NV-center ensembles in diamond coupled to an electron-spin bath
Reyhaneh Ghassemizadeh, Wolfgang Körner, Daniel F. Urban +1
We investigate nitrogen-vacancy center (NV) ensembles in diamond under the influence of strongly-correlated electron-spin baths. We thoroughly calculate the decoherence properties…
Theoretical limits of magnetic detection of structural surface defects at the nanometer scale
Wolfgang Körner, Daniel F. Urban, Christian Elsässer
We present a theoretical study on the magnetic signals of structural surface defects like cracks or indents combined with rough surfaces or subsurface inclusions of soft ferromagne…