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.
Original language | English |
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Pages (from-to) | 40-46 |
Number of pages | 7 |
Journal | Complexity |
Volume | 10 |
Issue number | 2 |
DOIs | |
Publication status | Published - Nov 2004 |
Keywords
- molecular self-organization
- statistical complexity
- molecular dynamics
- chaos