link to homepage

Institute for Advanced Simulation (IAS)

Navigation and service

NIC research group Computational Materials Physics (April 2011 - March 2016)

The NIC research group finished their work at the end of March 2016 and said farewell with a symposium on 7 April 2016.

Head of the NIC research group

Prof. Dr. Martin Müser

Prof. Dr. Martin Müser
email: martin.mueser(at)

The NIC research group Computational Materials Physics contributes to the development and the application of computer simulations from the atomistic to the continuum scale. Its mission is to improve our understanding of materials with the ultimate goal of providing guidelines for the improvement of materials.

Particular research topics:

Cover Journal Soft Matter

Dissipation of polymer brushes

Lubrication of biological systems often involves the presence of polymers that are end-anchored to rubbing surfaces. The polymers swell in a solvent to form brushes, which then act as low-viscosity bearings when surfaces slide against a counter face. More: Dissipation of polymer brushes …

Visualization of the contact electrification of a metal tip and a metal substrate.

Force fields for redox reactions

Force-field based simulations allow one to gain atomic-scale information on the chemical and physical properties of molecules, clusters, and bulk materials. More: Force fields for redox reactions …

Small fraction of the interface between a seal and a substrate. Brighter colors indicate increased flow.

Contact mechanics and seal leakage

Seals are devices to close a gap and to prevent fluid flow through a joint. Although seals play a crucial role in many modern engineering devices, inexpensive elastomeric seals such as O-rings are often used. The failure of seals can have serious ramifications. More: Contact mechanics and seal leakage …