423 citations · 1.1k across the 15 of their papers we have counts for
12 papers · 1 filter
Universal scaling and characterisation of gelation in associative polymer solutions
Aritra Santra, B. Dünweg, J. Ravi Prakash
A Brownian dynamics algorithm is used to describe the static behaviour of associative polymer solutions. Predictions for the fractions of stickers bound by intra-chain and inter-ch…
Shear thinning in dilute and semidilute solutions of polystyrene and DNA
Sharadwata Pan, Duc At Nguyen, B. Duenweg +3
The viscosity of dilute and semidilute unentangled DNA solutions, in steady simple shear flow, has been measured across a range of temperatures and concentrations. For polystyrene…
An improved dissipative coupling scheme for a system of Molecular Dynamics particles interacting with a Lattice Boltzmann fluid
Nikita Tretyakov, Burkhard Dünweg
We consider the dissipative coupling between a stochastic Lattice Boltzmann (LB) fluid and a particle-based Molecular Dynamics (MD) system, as it was first introduced by Ahlrichs a…
Equilibrium binding energies from fluctuation theorems and force spectroscopy simulations
Emma Hodges, B. M. Cooke, E. M. Sevick +3
Brownian dynamics simulations are used to study the detachment of a particle from a substrate. Although the model is simple and generic, we attempt to map its energy, length and ti…
Size, shape and diffusivity of a single Debye-Hückel polyelectrolyte chain in solution
W. Chamath Soysa, B. Dünweg, J. Ravi Prakash
Brownian dynamics simulations of a coarse-grained bead-spring chain model, with Debye-Hückel electrostatic interactions between the beads, are used to determine the root-mean-squar…
Numerical electrokinetics
R. Schmitz, B. Duenweg
A new lattice method is presented in order to efficiently solve the electrokinetic equations, which describe the structure and dynamics of the charge cloud and the flow field surro…
Studying Flow Close to an Interface by Total Internal Reflection Fluorescence Cross Correlation Spectroscopy: Quantitative Data Analysis
R. Schmitz, S. Yordanov, H. J. Butt +2
Total Internal Reflection Fluorescence Cross Correlation Spectroscopy (TIR-FCCS) has recently (S. Yordanov et al., Optics Express 17, 21149 (2009)) been established as an experimen…
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…
Screening of Hydrodynamic Interactions in Semidilute Polymer Solutions: A Computer Simulation Study
Patrick Ahlrichs, Ralf Everaers, Burkhard Duenweg
We study single-chain motion in semidilute solutions of polymers of length N = 1000 with excluded-volume and hydrodynamic interactions by a novel algorithm. The crossover length of…
Parallel Excluded Volume Tempering for Polymer Melts
Alex Bunker, Burkhard Duenweg
We have developed a technique to accelerate the acquisition of effectively uncorrelated configurations for off-lattice models of dense polymer melts which makes use of both paralle…
Simulation of a Single Polymer Chain in Solution by Combining Lattice Boltzmann and Molecular Dynamics
Patrick Ahlrichs, Burkhard Duenweg
In this paper we establish a new efficient method for simulating polymer-solvent systems which combines a lattice Boltzmann approach for the fluid with a continuum molecular dynami…
Optimized Constant Pressure Stochastic Dynamics
A. Kolb, B. Duenweg
A recently proposed method for computer simulations in the isothermal-isobaric (NPT) ensemble, based on Langevin-type equations of motion for the particle coordinates and the ``pis…