CCL: an algorithm for the efficient comparison of clusters

The systematic comparison of the atomic structure of solids and clusters has become an important task in crystallography, chemistry, physics and materials science, in particular in the context of structure prediction and structure determination of nanomaterials. In this work, an efficient and robust...

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Detalles Bibliográficos
Autores principales: Hundt, R., Schön, J. C., Neelamraju, S., Zagorac, J., Jansen, M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3654313/
https://www.ncbi.nlm.nih.gov/pubmed/23682193
http://dx.doi.org/10.1107/S0021889813006894
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author Hundt, R.
Schön, J. C.
Neelamraju, S.
Zagorac, J.
Jansen, M.
author_facet Hundt, R.
Schön, J. C.
Neelamraju, S.
Zagorac, J.
Jansen, M.
author_sort Hundt, R.
collection PubMed
description The systematic comparison of the atomic structure of solids and clusters has become an important task in crystallography, chemistry, physics and materials science, in particular in the context of structure prediction and structure determination of nanomaterials. In this work, an efficient and robust algorithm for the comparison of cluster structures is presented, which is based on the mapping of the point patterns of the two clusters onto each other. This algorithm has been implemented as the module CCL in the structure visualization and analysis program KPLOT.
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spelling pubmed-36543132013-05-16 CCL: an algorithm for the efficient comparison of clusters Hundt, R. Schön, J. C. Neelamraju, S. Zagorac, J. Jansen, M. J Appl Crystallogr Research Papers The systematic comparison of the atomic structure of solids and clusters has become an important task in crystallography, chemistry, physics and materials science, in particular in the context of structure prediction and structure determination of nanomaterials. In this work, an efficient and robust algorithm for the comparison of cluster structures is presented, which is based on the mapping of the point patterns of the two clusters onto each other. This algorithm has been implemented as the module CCL in the structure visualization and analysis program KPLOT. International Union of Crystallography 2013-04-06 /pmc/articles/PMC3654313/ /pubmed/23682193 http://dx.doi.org/10.1107/S0021889813006894 Text en © R. Hundt et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Papers
Hundt, R.
Schön, J. C.
Neelamraju, S.
Zagorac, J.
Jansen, M.
CCL: an algorithm for the efficient comparison of clusters
title CCL: an algorithm for the efficient comparison of clusters
title_full CCL: an algorithm for the efficient comparison of clusters
title_fullStr CCL: an algorithm for the efficient comparison of clusters
title_full_unstemmed CCL: an algorithm for the efficient comparison of clusters
title_short CCL: an algorithm for the efficient comparison of clusters
title_sort ccl: an algorithm for the efficient comparison of clusters
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3654313/
https://www.ncbi.nlm.nih.gov/pubmed/23682193
http://dx.doi.org/10.1107/S0021889813006894
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AT jansenm cclanalgorithmfortheefficientcomparisonofclusters

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