367 citations · 1.6k across the 13 of their papers we have counts for
3 papers · 1 filter
Adaptive Resolution Molecular Dynamics Simulation: Changing the Degrees of Freedom on the Fly
Matej Praprotnik, Luigi Delle Site, Kurt Kremer
We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular syst…
Flow boundary conditions for chain-end adsorbing polymer blends
X. Zhou, D. Andrienko, L. Delle Site +1
Using the phenol-terminated polycarbonate blend as an example, we demonstrate that the hydrodynamic boundary conditions for a flow of an adsorbing polymer melt are extremely sensit…
Efficient tunable generic model for fluid bilayer membranes
Ira R. Cooke, Kurt Kremer, Markus Deserno
We present a model for the efficient simulation of generic bilayer membranes. Individual lipids are represented by one head- and two tail-beads. By means of simple pair potentials…