Rare behavior of growth processes via umbrella sampling of trajectories

Physical Review. E
Katherine KlymkoStephen Whitelam

Abstract

We compute probability distributions of trajectory observables for reversible and irreversible growth processes. These results reveal a correspondence between reversible and irreversible processes, at particular points in parameter space, in terms of their typical and atypical trajectories. Thus key features of growth processes can be insensitive to the precise form of the rate constants used to generate them, recalling the insensitivity to microscopic details of certain equilibrium behavior. We obtained these results using a sampling method, inspired by the "s-ensemble" large-deviation formalism, that amounts to umbrella sampling in trajectory space. The method is a simple variant of existing approaches, and applies to ensembles of trajectories controlled by the total number of events. It can be used to determine large-deviation rate functions for trajectory observables in or out of equilibrium.

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Jan 20, 2018·Physical Review. E·Katherine KlymkoStephen Whitelam

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Citations

Jul 6, 2019·The Journal of Chemical Physics·Chloe Ya Gao, David T Limmer
Apr 24, 2018·The Journal of Chemical Physics·Stephen WhitelamDibyendu Mandal
Jun 9, 2018·Physical Review Letters·Ushnish RayDavid T Limmer
Jul 18, 2018·Physical Review. E·Stephen Whitelam
Dec 25, 2019·Physical Review. E·Daniel Jacobson, Stephen Whitelam
Dec 7, 2019·Physical Review Letters·Mari Carmen Bañuls, Juan P Garrahan
Mar 17, 2020·The Journal of Chemical Physics·Ushnish Ray, Garnet Kin-Lic Chan
Apr 3, 2019·Physical Review. E·Takahiro NemotoJulien Tailleur
Aug 17, 2020·Physical Review. E·Robert L Jack, Rosemary J Harris
Sep 2, 2019·Chaos·Carlos Pérez-Espigares, Pablo I Hurtado
May 20, 2020·Physical Review. E·Loredana M VasiloiuJuan P Garrahan
Oct 31, 2020·Physical Review Letters·R Hurtado-GutiérrezP I Hurtado
Apr 18, 2021·Physical Review. E·Stephen Whitelam, Daniel Jacobson
Jul 18, 2021·Physical Review. E·Luke CauserJuan P Garrahan

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