Projects
Dynamics
- A2:Dynamically consistent coarse-grained models
- A3:Coarse-graining frequency-dependent phenomena and memory in colloidal systems
- A4:Understanding Water Relaxation Dynamics at Interfaces
- A5 (E):Heat transfer in polymer nanocomposites
- A6:Dynamic heterogeneities in coarse-grained and fine-grained models of liquid crystals and ionic liquids
- A7:Dynamical coarse-graining for non-equilibrium steady states with stochastic dynamics
- A8 (N):Roberto - Improved dynamics in self-consistent field molecular dynamics simulations of polymers
- A9 (N):Coarse grained nonequilibrium dynamics of active soft matter
Particle based coarse-graining and mixed resolution schemes
- B1:Inverse problems in coarse-grained particle simulations
- B2:Many-body effects and optimized mapping schemes for systematic coarse-graining
- B3:Coarse-graining of solvent effects in force-probe molecular dynamics simulations
- B4:Equilibrium and non-equilibrium processes in open systems via adaptive resolution simulations
- B5 (N):Multi-resolution methods including quantum chemistry, force fields, and hybrid particle-field schemes
- B6 (N):Topological validation of coarse-grained polymer models
- B7 (N):Machine learning for multiscale simulations
Bridging the particle-continuum gap
- C1:Using molecular fields to bridge between particle and continuum representations of macromolecular systems
- C3:Spinodal decomposition of polymer-solvent systems
- C4 (E):Nonlocal electrostatics of biomolecular systems
- C5:Adaptive hybrid multiscale simulations of soft matter fluids
- C6 (E):Linking hydrodynamics and microscopic models of wet active matter with anisotropic particles
- C7 (N):Dense active suspensions in the chaotic regime
- C8 (N):Numerical approximation of high-dimensional Fokker-Planck equations
Central service project G
- G:Central soft matter simulation platform
Integrated Research Training
- MGK:Integrated Research Training Group
Contact
- Scientific Coordinator of the TRR 146
- Niklas Litzenberger
- Staudingerweg 9
- D-55128 Mainz
- trr146A.J-tEVZ@Cuni-mainz.de