Theoretische physikalische Chemie
Auflistung nach
Welcome to the Theoretical Physical Chemistry Group
Our research is centered around the simulation of soft materials, including:- Polymers and other (bio)macromolecules in the bulk, in solution and at interfaces
- Polymeric materials, (nano)composites, functional and smart materials
- Simple and complex liquids, including systems far from equilibrium
- Surface and interface phenomena: interfacial tension, wetting, adsorption, adhesion
- Molecular transport: diffusion, permeation, ionic conduction, sorption, swelling
- Thermal transport: thermal conductivity, thermal diffusion (Soret effect)
- Viscosity and viscoelastic behaviour
- Molecular structure and mesoscopic morphology
- Multiscale simulation: systematic development of coarse-grained models, backmapping
- Non-equilibrium molecular dynamics
- New methods for surface tensions and wetting
- New forcefields for fluids, polymers and interfaces
- New software for atomistic and mesoscale molecular dynamics, parallelisation