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Complexity Digest 2004.52 - 06
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27-Dec-2004

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Quantifying The Complexity Of Chaos Of Molecular Systems, Complexity
 









Abstract: The simulated classical dynamics of a small molecule exhibiting
self-organizing behavior via a fast transition between two states is analyzed by
calculation of the statistical complexity of the system. It is shown that the
complexity of molecular descriptors such as atom coordinates and dihedral angles
have different values before and after the transition. This provides a new tool
to identify metastable states during molecular self-organization. The highly
concerted collective motion of the molecule is revealed. Low-dimensional
subspaces dynamics is found sensitive to the processes in the whole,
high-dimensional phase space of the system.
Source: Quantifying The Complexity Of Chaos In Multibasin Multidimensional
Dynamics Of Molecular Systems[
http://www3.interscience.wiley.com/cgi-bin/abstract/109860048/ABSTRACT ], D.
Nerukh - dn232cam.ac.uk, G. Karvounis, R. C. Glen, DOI: 10.1002/cplx.20055,
Complexity, Nov.-Dec. 2004, Online 2004/12/21
Contributed by Atin Das - dasatinyahoo.co.in

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