The mechanical and physical properties of polymeric materials originate from the interplay of
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …

Recent developments that increase the time and distance scales accessible in the
simulations of specific polymers are reviewed. Several different techniques are similar in that …

Results of a molecular dynamics simulation of a single polymer chain in a good solvent are
presented. The latter is modeled explicitly as a bath of particles. This system provides a first …

Recent developments in off-lattice self-consistent-field theories for inhomogeneous complex
fluids are reviewed. Particular emphasis is given to the treatment of intermolecular …

We present molecular-dynamics simulations of the thermal glass transition in a dense model
polymer liquid. We performed a comparative study of both constant volume and constant …

Polymers are good glass formers and allow for the study of melts near the glass transition in
(meta-) stable equilibrium. Theories of the glass transition imply such an equilibrium and …

We present a detailed study of the static and dynamic behaviors of long semiflexible polymer
chains in a melt. Starting from previously obtained fully equilibrated high molecular weight …

Unconcatenated, unknotted polymer rings in the melt are subject to strong interactions with
neighboring chains due to the presence of topological constraints. We study this by …

Grafted polymer layers under variable solvent conditions are studied by Monte Carlo
simulations using the bond fluctuation model. Structural information such as monomer …

We present the results of molecular dynamics simulations of very long model polymer chains
analyzed by various experimentally relevant techniques. The segment motion of the chains …