A7: Dynamical coarse-graining for non-equilibrium steady sates with stochastic dynamics
The role of this project is to develop an alternative, purely dynamical, approach to coarse-graining of driven systems and thus provide insights how dynamical properties of coarse-grained models might be improved. Our main tool will be the network representation of a discrete state space endowed with stochastic dynamics. We will develop a procedure to reduce the state space while trying to preserve the cycle topology. The physical idea behind this approach is that the dynamics of the system is essentially encoded in the currents. To this end we will analytically and numerically study lattice models and transfer our insights to polymer models in shear flow.
Unfolding dynamics of small peptides biased by constant mechanical forces
Molecular Systems Design & Engineering,
(2018);
doi:10.1039/c7me00080d
Nonequilibrium Markov state modeling of the globule-stretch transition
Physical Review E 95 (1),
(2017);
doi:10.1103/physreve.95.012503
Thermodynamic formalism for transport coefficients with an application to the shear modulus and shear viscosity
The Journal of Chemical Physics 146 (12),
124130
(2017);
doi:10.1063/1.4979124
Polydisperse hard spheres: crystallization kinetics in small systems and role of local structure
J. Stat. Mech. 2016 (8),
084007
(2016);
doi:10.1088/1742-5468/2016/8/084007
Nucleation pathway and kinetics of phase-separating active Brownian particles
Soft Matter 12 (24),
5257-5264
(2016);
doi:10.1039/c6sm00485g
Cycle representatives for the coarse-graining of systems driven into a non-equilibrium steady state
New Journal of Physics 17 (11),
115004
(2015);
doi:10.1088/1367-2630/17/11/115004
Contact
- Prof. Dr. Thomas Speck
- Institut für Physik
- Universität Mainz
- Staudingerweg 9
- D-55128 Mainz
- Tel: +49 6131 39 26915
- Fax: +49 6131 39 20496
- thomas.speckWZzeuH@DxPUjvmYHEuni-mainz.de
- http://www.komet331.physik.uni-mainz.de/speck.php