The institute Computational Physical Chemistry is embedded in the department of chemistry. It is part of the excellence cluster Smart Interfaces and was founded in March 2009. Our research focuses on modeling of molecular liquids, complex fluids, and soft materials in bulk and at interfaces under equilibrium and nonequilibrium conditions.

We use molecular simulation approaches, and develop new computational methods and molecular models that can be linked in hierarchical simulations which span several orders of magnitude in time and length scales.

Our research interests include:

• Molecular thermodynamics of solutions

• Development of atomistic and coarse-grained potentials for intermolecular and surface interactions

• Fluid-solid interfaces

• Hierarchical modeling of surfaces and interfaces

• Polymers, polymer surfaces, and polymers at interfaces

• Permeation of polymers