Gels, Polymers, and "active" Colloids

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Group leader: Patrick Kreissl Members: Christian Holm, David Beyer, Mariano Brito, Patrick Kreissl, Rudolf Weeber, Slavko Kondrat


The meeting takes place every three weeks on Tuesday at 10:30, if not indicated differently.

WS 2018

  • 12.12.2017 We discussed possible Bachelor topics:
    • ampholytic salt between colloids (so big that they are modeled as plate capacitors), Podgornik Project -Jonas
    • flow between charge regulated walls with Comsol (not Reaction Ensemble due to Dynamics being destroyed by MC) -Floh, Patrick, Jonas
    • Neural Net Topic - Anand
    • Bacteria in Porous Geometries, Espresso vs. Walberla - Michael
    • Gel with free magnetic particles, magneto-elastic behavior (Alignment of magnetic particles with attractive Lennard Jones interaction?)- Rudolf, Patrick
    • Porous nanogel in conical glass nanopore - Kai
    • ICC improvements Konrad, Floh
  • 24.10.2017 Jonas: Poisson-Boltzmann Cell Model under Tension, correct treatment and results. Discussed why results for (single chain) PB Cell Model differ from Tobis MD results for gels (see the presentation "/home/jlandsgesell/phd/presentations/Poisson\ Boltzmann\ Cell\ Model\ Progress\ Report\ 24.10.2017.odp"). Agreed on investigating single chain properties further. The optimal cell model where pressures equal on the top and the side was ruled out to be a bad model since it would like swell to infinity in radial direction.

SS 2017

  • 9.05.2017 Kai: Autocorrelation time of confined polymers, Patrick: made COMSOL implementation of Cell Model for taking finite differences (p=-del F(N,V,T)/del V), Jonas: discussed working together with Peters on weak polyelectrolytes in poor solvents and working with Peter on bulk vs. local pH values, David: mobility of weak stars, Michael: Problems with reactive boundary condition and momentum conservation
  • 18.04.2017
    • F. Weik: B-spline fit to polymer conformations and error calculation for Eigenvalue problems (both related to Evangelos' project of DNA translocation).
    • P. Kreissl: Writing proposal for magnetic gels project together with R. Weeber.
    • K. Szuttor: Writing response to paper review (almost done).
    • M. Kuron: Bachelor student's thesis deadline is soon. Moving boundary EK debugging progresses, but not finished. Literature resesearch on visco-elastic LB: -Malas-Pinas model may not be the best choice acc. to Joost et al. -Flo: talk to U. Schiller

WS 2016

  • 28.03.2017 We discussed results from the DPG meeting (e.g. Microgels from the group of Richtering, Aachen,, strategies for moving L-shaped swimmers and simulating weak hydrogels in an external electric field.
  • 28.02.2017 Jonas: We discussed the Poisson Boltzmann Cell Model, the free energy contributions which are necessary to determine the swelling equilibrium and first results of the COMSOL model.
  • 7.02.2017 Kai: We discussed the relaxation time behaviour of the first Rouse mode for uncharged polymers tethered to a wall in the presence of hydrodynamic interactions. There seems to be a crossover for the relaxation times, depending on the channel height and polymer length.
  • 18.01.2017 Julia presented the Computation of the 'Morphological Computation' for L shaped active swimmers. Nicolai presented results not included in his master thesis: susceptibilities/ relaxation times/ magnetization for isotropic/ uniaxial magnetic gels regarding the influence of Hydrodynamics (LB vs. Langevin thermostat). Idea of simulating ferro fluids due to more experimental data.
  • 22.11.2016 Presentation of the Desalination Paper of Tobias, Progress report of Patrick (active colloid in viscous medium modeled by entangled protein solution)
  • 13.1.2016 Patrick: Discussed how to test in simulations the magnetization model of anisotropic particles in an external magnetic field in an elastic medium. Further discussed why an active colloid in a viscoelastic medium could have an increased rotational diffusion. Kai: presented his paper on polymer stretching.

SS 2016

  • Tue, 27.09.2016 Progess reports by Julia (active L-shaped microswimmers) and Sebastian (sheared gels with Lees-Edwards boundary conditions)

WS 2015/16

  • Wed, 03.02.2016 External guest Daniel Häufle: L-shaped microswimmers
  • Wed, 13.01.2016 Progress reports
  • Wed, 25.11.2015 Progress report from the active Matter fraction

SS 2014

  • Wed, 3.9.2014
  • Wed, 13.8.2014 Coarse graining out the connecting polymers in magnetic gels (RW)
  • Wed, 23.7.2014
  • Wed, 2.7.2014 Observables feature in ESPResSo by Stefan, some remarks on TRAVIS analysis tool for MD trajectories by Konrad
  • Wed, 11.6.2014
  • Wed, 21.5.2014 Progress reports
  • Wed, 30.4.2014 The reaction ensemble, integrating chemical reactions into computer simulations (TR)
  • Wed, 9.4.2014 Starting the semester with status/progress reports

WS 2013/2014

  • Wed, 12.02.2014: Extraordinary Time: 15:30, Topic will be reports on progress and problems
  • Wed, 15.01.2013: Cell under tension model for hydrogels (TR)
  • Wed, 04.12.2013: fitting elastic constants in magnetic gels (RW) and as backup: Poisson-Boltzmann Cell under tension model for hydrogels (TR)
  • Wed, 20.11.2013: Continuation of the blob picture for polymers under confinement, maybe talk on fitting elastic constants
  • Wed, 06.11.2013: Talks on Blobology: Pincus blobs, Polymer blobs under confinement, electrostatic blobs
  • Wed, 23.10.2013: Progress Report
  • Wed, 2.10.2013: Initial meeting

Additional Material

Overview over active swimmers by Joost application_pdf.pngactive swimmers (6.83 MB)Info circle.png

Some remarks on literature research by Joost application_pdf.pngliterature research (1.9 MB)Info circle.png

Overview for the reaction ensemble method plus example implementation: application_pdf.pngreaction ensemble (255 KB)Info circle.png