Mathematics – Numerical Analysis
Scientific paper
2009-07-10
Mathematics
Numerical Analysis
Scientific paper
We propose a new approach to the transfer operator based analysis of the conformation dynamics of molecules. It is based on a statistical independence ansatz for the eigenfunctions of the operator related to a partitioning into subsystems. Numerical tests performed on small systems show excellent qualitative agreement between mean field and exact model, at greatly reduced computational cost.
Friesecke Gero
Junge Oliver
Koltai Péter
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