507 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of FreiburgDE49 papers
- Karlsruhe Institute of TechnologyDE19 papers
- Forschungszentrum JülichDE5 papers
- Johns Hopkins UniversityUS4 papers
- Technische Universität DarmstadtDE4 papers
- University of CambridgeGB4 papers
- Fraunhofer Institute for Industrial MathematicsDE3 papers
- RWTH Aachen UniversityDE3 papers
- University of RegensburgDE3 papers
- Arizona State UniversityUS2 papers
- Fraunhofer Institute for Applied Solid State PhysicsDE2 papers
- Innovation Cluster (Canada)CA2 papers
4 papers · 1 filter
Offset-corrected -Kohn-Sham scheme for the prediction of X-ray photoelectron spectra of molecules and solids
Michael Walter, Michael Moseler, Lars Pastewka
Absolute binding energies of core electrons in molecules and bulk materials can be efficiently calculated by spin paired density-function theory employing a Kohn-Sham (KS) s…
Effects of sublattice symmetry and frustration on ionic transport in garnet solid electrolytes
Boris Kozinsky, Sneha A. Akhade, Pierre Hirel +5
We use rigorous group-theoretic techniques and molecular dynamics to investigate the connection between structural symmetry and ionic conductivity in the garnet family of solid Li-…
Atomistically enabled nonsingular anisotropic elastic representation of near-core dislocation stress fields in -iron
Dariush Seif, Giacomo Po, Matous Mrovec +3
The stress fields of dislocations predicted by classical elasticity are known to be unrealistically large approaching the dislocation core, due to the singular nature of the theory…
Superlubric to stick-slip sliding of incommensurate graphene flakes on graphite
M. M. van Wijk, M. Dienwiebel, J. W. M. Frenken +1
We calculate the friction of fully mobile graphene flakes sliding on graphite. For incommensurately stacked flakes, we find a sudden and reversible increase in friction with load,…