Seminar über Theorie der Kondensierten Materie/ Weiche Materie und Statistische Physik

Programm für das Wintersemester 2023/2024

Thursdays, 14:30 Uhr s.t.

F. Schmid / G. Settanni / P. Virnau / L. Stelzl
Minkowski-Raum, 05-119, Staudingerweg 7

26.10.23Bernd Jung & Gerhard Jung, Independent Scholar, Eltville, Germany & Laboratoire Charles Coulomb (L2C), Université de Montpellier, CNRS, 34095 Montpellier, France
We are generally interested in numerically studying the properties of soft matter. Due to limited computational resources, such studies often have to rely on coarse graining. This is the process of removing microscopic degrees of freedom to find models that are computationally much more efficient but still allow for realistic simulations of static and dynamic characteristics. While structural properties in coarse-grained models can be described and reconstructed by effective potentials, the description of dynamics is even more complex. It requires the introduction of additional dissipative and thermal forces to compensate for the systematic removal of degrees of freedom. One of the open questions in this field is how non-linearities in the underlying system influence form and dynamics of the coarse-grained model. Therefore, we investigated a system in thermal equilibrium using analytical theory, linear and non-linear projection operator formalisms, and computer simulations for a detailed analysis of the impact of such non-linearities. Our study highlights some open challenges and possible solutions in dynamic coarse graining. B. Jung, G. Jung, "Dynamic coarse-graining of linear and non-linear systems: Mori–Zwanzig formalism and beyond", J. Chem. Phys. 159, 084110 (2023), https://doi.org/10.1063/5.0165541
14:30 Uhr s.t., Minkowski Room, 05-119, Staudingerweg 7

PW: 008795

02.11.23Vishal Maingi, Bioengineering, Caltech
GRK 2516 Soft Matter Seminar
14:30 Uhr s.t., Online

09.11.23Hendrik Jung, FU Berlin
AI for Molecular Mechanism Discovery (aimmd)
14:30 Uhr s.t., Minkowski Room, 05-119, Staudingerweg 7

PW: 008795

16.11.23Marcus Müller, Institute for Theoretical Physics, Uni Göttingen
GRK 2516 Soft Matter Seminar
14:30 Uhr s.t., Minkowski Room, 05-119, Staudingerweg 7

30.11.23Marjolein Dijkstra, Computational Condensed Matter, Utrecht University
GRK 2516 Soft Matter Seminar
14:30 Uhr s.t., Minkowski Room, 05-119, Staudingerweg 7

07.12.23Achim Klenke, JGU, Chemistry
Mean Number of Visible Confetti
14:30 Uhr s.t., Minkowski Room, 05-119, Staudingerweg 7

PW: 146146

14.12.23Florian Mast, JGU, Chemistry
GRK 2516 Soft Matter Seminar – Improving electrochemical reductions: finding the right supporting electrolyte through principal component analysis
14:30 Uhr s.t., Lorentz Room, 05-127, Staudingerweg 7

18.01.24Sofia Kantorovich, Computational Physics, University of Vienna
GRK 2516 Soft Matter Seminar
14:30 Uhr s.t., Minkowski Room, 05-119, Staudingerweg 7

26.01.24Scott Milner, Penn State University
Using simulations to predict miscibility
10:15 Uhr s.t., Lorentz Room, 05-127, Staudingerweg 7

01.02.24Günter Auernhammer, Leibniz Institute for Polymer Research, Dresden
GRK 2516 Soft Matter Seminar
14:30 Uhr s.t., Minkowski Room, 05-119, Staudingerweg 7

Koordination: Kontakt:

F. Schmid
friederike.schmid@uni-mainz.de

P. Virnau
virnau@uni-mainz.de

L. Stelzl
lstelzl@uni-mainz.de

Lukas Stelzl
lstelzl@uni-mainz.de