1.5k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Max Planck SocietyDE168 papers
- Johannes Gutenberg University MainzDE62 papers
- Centre National de la Recherche ScientifiqueFR35 papers
- Bulgarian Academy of SciencesBG25 papers
- Swiss Federal Laboratories for Materials Science and TechnologyCH21 papers
- Monash UniversityAU19 papers
- University of BernCH19 papers
- University of SzczecinPL17 papers
- Technische Universität DarmstadtDE16 papers
- Technische Universität DresdenDE16 papers
- Institute of Physical ChemistryPL15 papers
- Goethe University FrankfurtDE13 papers
11 papers · 1 filter
Coupling different levels of resolution in molecular simulations
Simon Poblete, Matej Praprotnik, Kurt Kremer +1
Simulation schemes that allow to change molecular representation in a subvolume of the simulation box while preserving the equilibrium with the surrounding introduce conceptual pro…
Coupling atomistic and continuum hydrodynamics through a mesoscopic model: application to liquid water
Rafael Delgado-Buscalioni, Kurt Kremer, Matej Praprotnik
We have conducted a triple-scale simulation of liquid water by concurrently coupling atomistic, mesoscopic, and continuum models of the liquid. The presented triple-scale hydrodyna…
Influence of Lipid Heterogeneity and Phase Behavior on Phospholipase A2 Action at the Single Molecule Level
M. Gudmand, S. Rocha, N. S. Hatzakis +7
We monitored the action of phospholipase A2 (PLA2) on L- and D-dipalmitoylphosphatidylcholine (DPPC) Langmuir monolayers by mounting a Langmuir-trough on a wide-field fluorescence…
Influence of Sedimentation on Convective Instabilities in Colloidal Suspensions
A. Ryskin, H. Pleiner
We investigate theoretically the bifurcation scenario for colloidal suspensions subject to a vertical temperature gradient taking into account the effect of sedimentation. In contr…
Comment on "Writhe formulas and antipodal points in plectonemic DNA configurations"
Joseph Samuel, Supurna Sinha, Abhijit Ghosh
We point out that the disagreement between the paper by Neukirch and Starostin (Ref.[1]) and ours (Ref. [5]) is only apparent and stems from a difference in approach. Ref. [1] is c…
Pulling an adsorbed polymer chain off a solid surface
S. Bhattacharya, A. Milchev, V. G. Rostiashvili +1
The thermally assisted detachment of a self-avoiding polymer chain from an adhesive surface by an external force applied to one of the chain ends is investigated. We perform our st…
Forced-induced desorption of a polymer chain adsorbed on an attractive surface - Theory and Computer Experiment
S. Bhattacharya, V. G. Rostiashvili, A. Milchev +1
We consider the properties of a self-avoiding polymer chain, adsorbed on a solid attractive substrate which is attached with one end to a pulling force. The conformational properti…
Implicit and explicit solvent models for the simulation of a single polymer chain in solution: Lattice Boltzmann vs Brownian dynamics
Tri T. Pham, Ulf D. Schiller, J. Ravi Prakash +1
We present a comparative study of two computer simulation methods to obtain static and dynamic properties of dilute polymer solutions. The first approach is a recently established…
Mesoscale modelling of polyelectrolyte electrophoresis
Kai Grass, Christian Holm
The electrophoretic behaviour of flexible polyelectrolyte chains ranging from single monomers up to long fragments of hundred repeat units is studied by a mesoscopic simulation app…
Mesoscopic simulations of the counterion-induced electroosmotic flow - a comparative study
Jens Smiatek, Marcello Sega, Christian Holm +2
We present mesoscopic simulations of the counterion-induced electroosmotic flow in different electrostatic coupling regimes. Two simulation methods are compared, Dissipative Partic…
Dynamics of a three-dimensional inextensible chain
Franco Ferrari, Jaroslaw Paturej, Thomas A. Vilgis
In the first part of this work the classical and statistical aspects of the dynamics of an inextensible chain in three dimensions are investigated. In the second part the special c…