dc.contributor.author
Winkelmann, Stefanie
dc.contributor.author
Schuette, Christof
dc.date.accessioned
2018-06-08T10:52:41Z
dc.date.available
2017-02-20T12:10:04.993Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/21264
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-24559
dc.description.abstract
Accurate modeling and numerical simulation of reaction kinetics is a topic of
steady interest. We consider the spatiotemporal chemical master equation (ST-
CME) as a model for stochastic reaction-diffusion systems that exhibit
properties of metastability. The space of motion is decomposed into metastable
compartments, and diffusive motion is approximated by jumps between these
compartments. Treating these jumps as first-order reactions, simulation of the
resulting stochastic system is possible by the Gillespie method. We present
the theory of Markov state models as a theoretical foundation of this
intuitive approach. By means of Markov state modeling, both the number and
shape of compartments and the transition rates between them can be determined.
We consider the ST-CME for two reaction-diffusion systems and compare it to
more detailed models. Moreover, a rigorous formal justification of the ST-CME
by Galerkin projection methods is presented.
en
dc.rights.uri
http://publishing.aip.org/authors/web-posting-guidelines
dc.subject.ddc
500 Naturwissenschaften und Mathematik::510 Mathematik
dc.title
The spatiotemporal master equation
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation
Journal of Chemical Physics. - 145 (2016), Artikel Nr. 214107
dc.title.subtitle
Approximation of reaction-diffusion dynamics via Markov state modeling
dcterms.bibliographicCitation.doi
10.1063/1.4971163
dcterms.bibliographicCitation.url
http://dx.doi.org/10.1063/1.4971163
refubium.affiliation
Mathematik und Informatik
de
refubium.mycore.fudocsId
FUDOCS_document_000000026379
refubium.resourceType.isindependentpub
no
refubium.mycore.derivateId
FUDOCS_derivate_000000007719
dcterms.accessRights.openaire
open access