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https://trr146.uni-mainz.de/program-pi-retreat-13-10-14-10-2025/

Program PI Retreat 13.10.-14.10.2025 Monday, 13.10.2025 10:20-11:00 General Updates and Finances 11:00-11:40 Talk by Friederike Schmid on "Personal perspective on 11 years of TRR 146" IRTG 11:40-12:20 Coffee Break 12:20-13:00 Talk by Benno Liebchen 13:00-13:40 Talk by Florian Müller-Plathe on "A true multi-scale problem: How the gecko runs on almost any surface" 13:40-14:40 Lunch 14:40-15:20 Talk by Michael Wand on "Geometric deep learning and beyond" (title not final yet) 15:20-16:00 Talk by Martin Oberlack 16:00-16:40 Coffee Break 16:40-17:20 Talk by Oleksandra Kukharenko 17:20-18:00 Talk by Gregor Diezemann on "Coarse graining of force-probe molecular dynamics simulations" 18:00-18:45 Check-In 18:45-22:00 Dinner and wine tasting   Tuesday, 14.10.2025 10:20-11:00 Talk by Maria Lukáčová-Medvid’ová 11:00-11:40 Talk by Lisa Hartung 11:40-12:20 Coffee Break 12:20-13:00 Talk by Burkhard Duenweg on "Viscosity of an MD/LB fluid suspension: Non-Einstein behavior due to dissipative coupling" 13:00-13:40 Talk by Nico van der Vegt 13:40-14:40 Lunch 14:40-15:20 Talk by Stella Stopkowicz […]

https://trr146.uni-mainz.de/project-b8-n/

Project B8 (N): Hydrodynamic Simulation of Passive and Active Janus Particles Janus particles are colloidal particles whose surface has been modified differently in different locations, creating so-called patches. The patches are designed in a way to generate directional interactions between the Janus particles. Janus particles, therefore, often self-assemble into ordered structures, commonly referred to as lattices or crystal structures, even though the system still is a colloidal solution. By variation of the chemical nature, size and location of the patches, a rich set of lattice structures is accessible. In our work so far, we have focused on triblock Janus particles, which carry attractive van-der-Waals patches on the poles and repulsive electrostatic charges around the equator. We developed a detailed dissipative-particle dynamics model for them, which includes surface chemistry and explicit solvent molecules. With this model and our newly devised adaptive metadynamics method, we could clarify their self-assembly into two-dimensional ordered […]

https://trr146.uni-mainz.de/project-a10-n/

Project A10 (New): Population control of multiple walker simulations via a birth/death process Conventional Molecular Dynamics (MD) simulations are generally unable to access the long-timescale phenomena that are common in nature. This timescale problem comes from the fact that a typical free energy landscape consists of many metastable states separated by high free energy barriers. If the barriers are much higher than the thermal energy, the system is kinetically trapped in some metastable state and barrier crossings will be rare events on the time scales that we can simulate. One strategy to alleviate this time scale problem is to employ collective variable (CV) based enhanced sampling methods such as metadynamics. A common way to improve the performance of CV-based methods is to employ multiple walkers that share a bias potential and collaboratively sample the free energy landscape. In this way, one reduces the wall-clock time for convergence and makes better […]

https://trr146.uni-mainz.de/dr-denis-andrienko/

Dr. Denis Andrienko Max Planck-Institut für Polymerforschung Ackermannweg 10 D-55128 Mainz Tel: +49 6131 379340 Fax: +49 6131 379340 Mail: denis.andrienko@mpip-mainz.mpg.de Further information