Abstract
Transition path sampling is a methodology which overcomes both the long timescale problem and the lack of prior knowledge about transition mechanisms. Here we briefly review the basic principles of transition path sampling, illustrate its application using autoionization in liquid water, and emphasize the capabilities and limitations of the methodology.
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Dellago, C., Chandler, D. (2002). Bridging the Time Scale Gap with Transition Path Sampling. In: Nielaba, P., Mareschal, M., Ciccotti, G. (eds) Bridging Time Scales: Molecular Simulations for the Next Decade. Lecture Notes in Physics, vol 605. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-45837-9_11
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DOI: https://doi.org/10.1007/3-540-45837-9_11
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