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This section is still under development. A list of all publications until 2021 can be found here.

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 […]

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 […]

Research opportunities for Ukrainian scientists The Collaborative Research Centre Transregio 146 "Multiscale Simulation Methods for Soft Matter Systems" in Mainz and Darmstadt is offering research opportunities to Ukrainian scientists who fled Uraine. If you are for example a physicist, chemist, mathematician, computer scientist or engineer, and your research interests are within the scope of the TRR146, please contact us, and we will figure something out. Please contact: mhaack@uni-mainz.de

Prof. Dr. Markus Bachmayr Institut für Mathematik Universität Mainz Staudingerweg 9 D-55128 Mainz Tel: +49 6131 3920172 Fax: +49 6131 3923331 Secr: +49 6131 3922270 Mail: bachmayr@uni-mainz.de Further information

Prof. Dr. Michele Cascella Department of Chemistry The Faculty of Mathematics and Natural Sciences Sem Sælands vei 26 0371Oslo, Norway Tel: +47 22855420 Mail: michele.cascella@kjemi.uio.no Further information

Prof. Dr. Martin Hanke-Bourgeois Institut für Mathematik Universität Mainz Staudingerweg 9 D-55128 Mainz Tel: +49 6131 39 22528 Fax: +49 6131 39 23331 Mail: hanke@mathematik.uni-mainz.de Further information

Prof. Dr. Maria Lukáčová Institut für Mathematik Universität Mainz Staudingerweg 9 D-55128 Mainz Tel: +49 6131 39 22831 Fax: +49 6131 39 23331 Secr: +49 6131 39 22270 Mail: lukacova@mathematik.uni-mainz.de Further information

Prof. Dr. Florian Müller-Plathe Institut für Physikalische Chemie Technische Universität Darmstadt Alarich-Weiss-Str. 8 D-64287 Darmstadt Tel: +49 6151 16-22621 Fax: +49 6151 16-22619 Mail: f.mueller-plathe@theo.chemie.tu-darmstadt.de Further information