Pantheon SEMPARIS Le serveur des séminaires parisiens Paris

Status Confirmed
Seminar Series SEM-LPTMC
Subjects cond-mat.stat-mech
Date Monday 27 September 2021
Time 10:45
Institute LPTMC
Seminar Room salle 523 du LPTMC - Tour 12-13 Jussieu
Speaker's Last Name Hartmann
Speaker's First Name Alexander
Speaker's Email Address
Speaker's Institution University of Oldenburg
Title Large-deviation simulations of rare non-equilibrium processes can be close to equilibrium
Abstract Fluctuation theorems like those of Crooks or Jarzynski allow to obtain equilibrium quantities from non-equilibrium processes. For example, the distribution P(W) of the work allows to extract the free energy difference $\Delta F$ between equilibrium starting state and final state, after hypothetical final equilibration. The region of P(W) where $W\approx\Delta F$ holds is most relevant to obtain $\Delta F$. But P(W) may be extremely small in this region, which makes in the case of computer simulations sophisticated large-deviation algorithms necessary. As example, the Ising model with work performed by changing the external field is shown, where probabilities as small as $10^{-50}$ and lower must be reached. Going beyond the calculation of ΔF, we ask, how similar are the non- equilibrium processes in this rare-event tail to the equilibrium ones that determine $\Delta F$? Here, this question is investigate for the unfolding and refolding of RNA secondary structures under influence of an external force f. Indeed the extreme low-probability trajectories, which exhibit $W\approx\Delta F$ and thus contribute most to the determination of $\Delta F$ via Crooks equation, are very similar to the equilibrium trajectories.
arXiv Preprint Number
Comments Meeting ID: 829 3887 9975 Passcode: 644686

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