Over the last two decades, lattice Boltzmann methods have become an increasingly popular
tool to compute the flow in complex geometries such as porous media. In addition to single …

This article concerns numerical simulations of the dynamics of particles immersed in a
continuum solvent. As prototypical systems, we consider colloidal dispersions of spherical …

ESPResSo is an extensible simulation package for research on soft matter. This versatile
molecular dynamics program was originally developed for coarse-grained simulations of …

We describe a new program package that is designed to perform numerical Molecular
Dynamics (MD) and Monte Carlo (MC) simulations for a broad class of soft matter systems in …

We describe in detail how to implement a coarse-grained hybrid molecular dynamics and
stochastic rotation dynamics simulation technique that captures the combined effects of …

Large-scale molecular dynamics simulations show that nanoparticle (NP) diffusivity in
weakly interacting mixtures of NPs and polymer melts has two very different classes of …

ESPResSo is a package for Molecular Dynamics (MD) simulations of coarse-grained
models. We present the most recent version 3.1 of our software, highlighting some recent …

We develop a rigid multiblob method for numerically solving the mobility problem for
suspensions of passive and active rigid particles of complex shape in Stokes flow in …

The validity of the Stokes-Einstein (SE) relation for particle diffusion in the nano-and
molecular scales has attracted much interest, but the results in the literature are …

We introduce numerical methods for simulating the diffusive motion of rigid bodies of
arbitrary shape immersed in a viscous fluid. We parameterize the orientation of the bodies …