63 citations · 112 across the 4 of their papers we have counts for
4 papers
Water adsorption on amorphous silica surfaces: A Car-Parrinello simulation study
Claus Mischler, Juergen Horbach, Walter Kob +1
A combination of classical molecular dynamics (MD) and ab initio Car-Parrinello molecular dynamics (CPMD) simulations is used to investigate the adsorption of water on a free amorp…
Amorphous silica at surfaces and interfaces: simulation studies
Juergen Horbach, Torsten Stuehn, Claus Mischler +2
The structure of surfaces and interfaces of silica (SiO2) is investigated by large scale molecular dynamics computer simulations. In the case of a free silica surface, the results…
Classical and ab initio molecular dynamic simulation of an amorphous silica surface
Claus Mischler, Walter Kob, Kurt Binder
We present the results of a classical molecular dynamic simulation as well as of an ab initio molecular dynamic simulation of an amorphous silica surface. In the case of the classi…
Polymer Films in the Normal-Liquid and Supercooled State: A Review of Recent Monte Carlo Simulation Results
C. Mischler, J. Baschnagel, K. Binder
This paper reviews recent Monte Carlo simulation studies of the glassy behavior in thin polymer films. The simulations employ a version of the bond-fluctuation lattice model, in wh…