431 citations · 797 across the 4 of their papers we have counts for
4 papers
More Bang for Your Buck: Improved use of GPU Nodes for GROMACS 2018
Carsten Kutzner, Szilárd Páll, Martin Fechner +3
We identify hardware that is optimal to produce molecular dynamics trajectories on Linux compute clusters with the GROMACS 2018 simulation package. Therefore, we benchmark the GROM…
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations
Carsten Kutzner, Szilárd Páll, Martin Fechner +3
The molecular dynamics simulation package GROMACS runs efficiently on a wide variety of hardware from commodity workstations to high performance computing clusters. Hardware featur…
Density functional theory for colloidal mixtures of hard platelets, rods, and spheres
Ansgar Esztermann, Hendrik Reich, Matthias Schmidt
A geometry-based density functional theory is presented for mixtures of hard spheres, hard needles and hard platelets; both the needles and the platelets are taken to be of vanishi…
Colloidal brazil nut effect in sediments of binary charged suspensions
Ansgar Esztermann, Hartmut Löwen
Equilibrium sedimentation density profiles of charged binary colloidal suspensions are calculated by computer simulations and density functional theory. For deionized samples, we p…