Barrier Trees of Degenerate Landscapes1

نویسندگان

  • Christoph Flamm
  • Ivo L. Hofacker
  • Peter F. Stadler
  • Michael T. Wolfinger
چکیده

The heights of energy barriers separating two (macro-)states are useful for estimating transition frequencies. In non-degenerate landscapes the decomposition of a landscape into basins surrounding local minima connected by saddle points is straightforward and yields a useful definition of macro-states. In this work we develop a rigorous concept of barrier trees for degenerate landscapes. We present a program that efficiently computes such barrier trees, and apply it to two well known examples of landscapes.

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تاریخ انتشار 2001