output
19932026
most citedOn-surface synthesis of graphene nanoribbons with zigzag edge topology

1.5k citations

Showing 2009Show all

11 papers · 1 filter

cond-mat.stat-mech2009★ 130 cited

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…

cond-mat.soft2009★ 76 cited

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…

physics.bio-ph2009★ 52 cited

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…

nlin.PS2009★ 9 cited

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…

cond-mat.soft2009★ 4 cited

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…

cond-mat.soft2009★ 22 cited

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…

cond-mat.soft2009★ 34 cited

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…

cond-mat.soft2009★ 64 cited

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…

cond-mat.soft2009★ 31 cited

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…

cond-mat.other2009★ 54 cited

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…

cond-mat.stat-mech2009

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…