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Transition Path Sampling and Other Advanced Simulation Techniques for Rare Events

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Advanced Computer Simulation Approaches for Soft Matter Sciences III

Part of the book series: Advances in Polymer Science ((POLYMER,volume 221))

Computer simulations of molecular processes such as nucleation in first-order phase transitions or the folding of a protein are often complicated by widely disparate time scales related to important but rare events. Here, we will review sev eral recently developed computational methods designed to address the rare-events problem. In doing so, we will focus on the transition path sampling methodology.

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Author information

Authors and Affiliations

  1. Faculty of Physics, University of Vienna, Boltzmanngasse 5, Vienna, 1090, Austria

    Christoph Dellago

  2. van't Hoff Institute for Molecular Sciences, University of Amsterdam, Nieuwe Achtergracht 166, Amsterdam, 1018 WV, The Netherlands

    Peter G. Bolhuis

Authors
  1. Christoph Dellago
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  2. Peter G. Bolhuis
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Corresponding authors

Correspondence to Christoph Dellago or Peter G. Bolhuis .

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Editors and Affiliations

  1. Institute for Computational Physics, Universität Stuttgart, Pfaffenwaldring 27, Stuttgart, D-70569

    Christian Holm

  2. MPI fuer Polymerforschung, Ackermannweg 10, Mainz, 55128, Germany

    Kurt Kremer

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Dellago, C., Bolhuis, P.G. (2009). Transition Path Sampling and Other Advanced Simulation Techniques for Rare Events. In: Holm, C., Kremer, K. (eds) Advanced Computer Simulation Approaches for Soft Matter Sciences III. Advances in Polymer Science, vol 221. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-87706-6_3

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