Research projects
Current research projects and interests
Coarse-Graining
In physics, we hardly ever describe a system in terms of all of its degrees of freedom. Usually we resort to models. Our group develops coarse-graining methods, i.e. methods to systematically construct models.
Review article:
Coarse-grained modelling out of equilibrium
T. Schilling
Physics Reports, 972, 1-45 (2022).
doi: 10.1016/j.physrep.2022.04.006
arXiv:2107.09972 [cond-mat.stat-mech]
Related Projects:
- Dynamic coarse-graining based on time-dependent projection operators
- A coarse-graining anaylsis of the FPU model.
Density Functional Theory (DFT)
We use classical density functional theory (DFT) to study structural properties of many-body systems. We mainly focus on mixtures of (charged) hard spheres and rods, which represent an important reference for more complex particles. Currently, we examine ionic structure in electric double layers (EDL) and connectivity in percolating networks. Our findings can be applied to study and optimize supercapacitors and related technology for harvesting energy from differences in concentration and temperature.
The sketch shows (from right to left) a supercapacitor, its porous electrode, and the EDL. Ref.: A. Härtel. J. Phys.: Condens. Matter 29, 423002 (2017)
Related Projects:
- Structure of electric double layers in capacitive systems
- Density functional for electrostatic interactions
- Electrostatic screening of charges, in particular underscreening and dressed ion theory
Computer Simulations
We use Monte Carlo (MC) and Molecular Dynamics (MD) simulation methods in order to study the materials properties of soft matter. Typical examples are liquid crystals and colloids.
Simulation snapshot of a carbon black aggregate. These materials are used in energy storage devices and sensors.
Related Projects:
- Colloids in shear flow
- Distribution of ions at charged surfaces or in bulk
- Biochemical reaction networks