Observatorio de I+D+i UPM

Memorias de investigación
Communications at congresses:
Reaction rate calculation with invariant manifolds
Year:2015
Research Areas
  • Physics chemical and mathematical
Information
Abstract
The usual identification of reactive trajectories for the calculation of reaction rates requires very time-demanding simulations, particularly if the environment presents memory effects. In this work, we develop a new method that permits the identification of reactive trajectories in a system under the action of a stochastic colored driving. This method is based on the perturbative computation of the invariant structures that act as separatrices for reactivity. Furthermore, using this perturbative scheme, we have obtained a formally exact expression for the reaction rate in multidimensional systems coupled to colored noisy environments. We also report some results on white noise.
International
Si
Congress
ILluminyating 2015 - Transition States for Multielectron Ionization Phenomena [http://www.trans-mi.eu/news/illuminyating2015] [http://www.gsc.upm.es/illuminyating2015/]
960
Place
Madrid
Reviewers
Si
ISBN/ISSN
0000-0000
Start Date
07/05/2015
End Date
08/05/2015
From page
34
To page
34
Book of abstracts of ILluminyating 2015
Participants
  • Autor: Fabio Revuelta Peña (UPM)
  • Autor: Thomas Bartsch (Loughborough University, UK)
  • Autor: Rosa Maria Benito Zafrilla (UPM)
  • Autor: Florentino Borondo (Universidad Autónoma de Madrid)
Research Group, Departaments and Institutes related
  • Creador: Grupo de Investigación: Grupo de Sistemas Complejos
  • Departamento: Ingeniería Agroforestal
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