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Application of a Stochastic Path Integral Approach to the Computations of an Optimal Path and Ensembles of Trajectories

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Computational Molecular Dynamics: Challenges, Methods, Ideas

Part of the book series: Lecture Notes in Computational Science and Engineering ((LNCSE,volume 4))

Abstract

A stochastic path integral is used to obtain approximate long time trajectories with an almost arbitrary time step. A detailed description of the formalism is provided and an extension that enables the calculations of transition rates is discussed.

This research was supported by grants from the Israel Science Foundation, Israel Science Ministry and the National Institutes of Health to RE.

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© 1999 Springer-Verlag Berlin Heidelberg

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Elber, R., Roux, B., Olender, R. (1999). Application of a Stochastic Path Integral Approach to the Computations of an Optimal Path and Ensembles of Trajectories. In: Deuflhard, P., Hermans, J., Leimkuhler, B., Mark, A.E., Reich, S., Skeel, R.D. (eds) Computational Molecular Dynamics: Challenges, Methods, Ideas. Lecture Notes in Computational Science and Engineering, vol 4. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-58360-5_14

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  • DOI: https://doi.org/10.1007/978-3-642-58360-5_14

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-63242-9

  • Online ISBN: 978-3-642-58360-5

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