Dresden 2020 – wissenschaftliches Programm

Die DPG-Frühjahrstagung in Dresden musste abgesagt werden! Lesen Sie mehr ...

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

DY: Fachverband Dynamik und Statistische Physik

DY 7: Statistical Physics (General) I

DY 7.7: Vortrag

Montag, 16. März 2020, 11:45–12:00, ZEU 160

Microscopic reweighting for non-equilibrium steady states dynamics — •Marius Bause, Timon Wittenstein, Kurt Kremer, and Tristan Bereau — Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz

Computer simulations generate trajectories at a single, well-defined thermodynamic state point. Statistical reweighting offers the means to reweight static and dynamical properties to different equilibrium state points by means of analytic relations. We extend these ideas to non-equilibrium steady states by relying on a maximum path entropy formalism subject to physical constraints. Stochastic thermodynamics analytically relates the forward and backward probabilities of any pathway through the external non-conservative force, enabling reweighting both in and out of equilibrium. We avoid the combinatorial explosion of microtrajectories by systematically constructing pathways through Markovian transitions. We further identify a quantity that is invariant to dynamical reweighting, analogous to the density of states in equilibrium reweighting.(M.Bause,T.Wittenstein,K.Kremer,T.Bereau, PRE(in press))