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
6 papers · 1 filter
Ab-initio force prediction for single molecule force spectroscopy made simple
Pooja Bhat, Wafa Maftuhin, Michael Walter
Bond rupture under the action of external forces is induced by temperature fluctuations. We show that measured forces from single molecule force spectroscopy experiments can be pre…
Atomic diffraction by patterned holes in hexagonal boron nitride: a comparison between semi-classical and quantum computational models
Eivind Kristen Osestad, Ekaterina Zossimova, Michael Walter +1
The diffraction of atoms and molecules through tiny, sub-nanometre holes in atomically thin membranes is a promising approach for advancing atom interferometry sensing and atomic h…
When wall slip wins over shear flow: A temperature-dependent Eyring slip law and a thermal multiscale model for diamond-like carbon lubricated by a polyalphaolefin oil
Stefan Peeters, Edder J. García, Franziska Stief +4
The quantitative description of lubricant flow in nanoscale channels is complicated by various finite-size effects that are not taken into account in conventional thermo-elasto-hyd…
Explicit core-hole single-particle methods for L- and M- edge X-ray absorption and electron energy-loss spectra
Esther A. B. Johnsen, Naoki Horiuchi, Toma Susi +1
Single-particle methods based on Kohn-Sham unoccupied states to describe near-edge X-ray absorption (XAS) spectra are routinely applied for the description of K-edge spectra, as th…
Active learning for parameter-free multiscale modeling of boundary lubrication
Hannes Holey, Peter Gumbsch, Lars Pastewka
Lubricated friction is a multiscale problem where molecular processes dictate the macroscopic response of the system. Traditional lubrication models rely on semi-empirical constitu…
Diffusion behavior of Li ions in crystalline and amorphous Li-Zr-O and Li-Nb-O phases
Daniel Mutter, Diego A. Pantano, Christian Elsässer +1
Li containing transition metal oxides are known as good ionic conductors. Performing classical molecular dynamics simulations, the diffusion behavior of Li ions is investigated in…