85 citations · 366 across the 19 of their papers we have counts for
3 papers · 1 filter
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…
First-principles analysis of the interplay between electronic structure and volume change in colquiriite compounds during Li intercalation
A. F. Baumann, D. Mutter, D. F. Urban +1
A main source of capacity fading in lithium-ion batteries is the degradation of the active cathode materials caused by the series of volume changes during charge and discharge cycl…
Atomic resolution mapping of localized phonon modes at grain boundaries
Benedikt Haas, Tara M. Boland, Christian Elsässer +5
Phonon scattering at grain boundaries (GBs) is significant in controlling nanoscale device thermal conductivity. However, GBs could also act as waveguides for selected modes. To me…