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Main Authors: Bauer, Ulrich, Lenzen, Fabian
Format: Preprint
Published: 2025
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Online Access:https://arxiv.org/abs/2502.20149
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author Bauer, Ulrich
Lenzen, Fabian
author_facet Bauer, Ulrich
Lenzen, Fabian
contents The conformation space of cyclooctane, a ringlike organic molecule comprising eight carbon atoms, is a two-dimensional algebraic variety, which has been studied extensively for more than 90 years. We propose a cell structure representing this space, which arises naturally by partitioning the space into subsets of conformations that admit particular symmetries. We do so both for the labeled conformation space, in which the carbon atoms are considered as distinct, and for the actual, unlabeled, conformation space. The proposed cell structure is obtained by identifying subspaces of conformations based on symmetry patterns and studying the geometry and topology of these subsets using methods from dimensionality reduction and topological data analysis. Our findings suggest that, in contrast to the labeled variant, the conformation space of cyclooctane is contractible.
format Preprint
id arxiv_https___arxiv_org_abs_2502_20149
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Inferring a Cell Structure on the Space of Cyclooctane Conformations
Bauer, Ulrich
Lenzen, Fabian
General Topology
57-08, 14-04
The conformation space of cyclooctane, a ringlike organic molecule comprising eight carbon atoms, is a two-dimensional algebraic variety, which has been studied extensively for more than 90 years. We propose a cell structure representing this space, which arises naturally by partitioning the space into subsets of conformations that admit particular symmetries. We do so both for the labeled conformation space, in which the carbon atoms are considered as distinct, and for the actual, unlabeled, conformation space. The proposed cell structure is obtained by identifying subspaces of conformations based on symmetry patterns and studying the geometry and topology of these subsets using methods from dimensionality reduction and topological data analysis. Our findings suggest that, in contrast to the labeled variant, the conformation space of cyclooctane is contractible.
title Inferring a Cell Structure on the Space of Cyclooctane Conformations
topic General Topology
57-08, 14-04
url https://arxiv.org/abs/2502.20149