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Updated: Apr 4, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Analysis of Streamline Separation at Infinity Using Time-Discrete Markov Chains
1University of Leipzig. reich@informatik.uni-leipzig.de
Abstract:
Existing methods for analyzing separation of streamlines are often restricted to a finite time or a local area. In our paper we introduce a new method that complements them by allowing an infinite-time-evaluation of steady planar vector fields. Our algorithm unifies combinatorial and probabilistic methods and introduces the concept of separation in time-discrete Markov-Chains. We compute particle distributions instead of the streamlines of single particles. We encode the flow into a map and then into a transition matrix for each time direction. Finally, we compare the results of our grid-independent algorithm to the popular Finite-Time-Lyapunov-Exponents and discuss the discrepancies.
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