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
3 papers · 1 filter
Reliable computational prediction of supramolecular ordering of complex molecules under electrochemical conditions
Benedikt Hartl, Shubham Sharma, Oliver Brügner +3
We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical condit…
A non-empirical free volume viscosity model for alkane lubricants under severe pressures
Kerstin Falk, Daniele Savio, Michael Moseler
Viscosities and diffusion coefficients of linear and branched alkanes at high pressures 0.7 GPa and temperatures =500-600 K are calculated by equilibrium molecul…
Charge transfer excitations with range separated functionals using improved virtual orbitals
Rolf Würdemann, Michael Walter
We present an implementation of range separated functionals utilizing the Slater-function on grids in real space in the projector augmented waves method. The screened Poisson equat…