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Assessment of numerical optimization algorithms for the development of molecular models

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Metadaten
Document Type:Article
Language:English
Author:Marco Hülsmann, Jadran Vrabec, Astrid Maaß, Dirk Reith
Parent Title (English):Computer Physics Communications
Volume:181
Issue:5
First Page:887
Last Page:905
ISSN:0010-4655
DOI:https://doi.org/10.1016/j.cpc.2010.01.001
Publisher:Elsevier
Date of first publication:2010/01/07
Keyword:Gradient-based algorithms; Lennard-Jones potential; Molecular models; Numerical optimization; Vapor–liquid equilibrium
Departments, institutes and facilities:Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE)
Dewey Decimal Classification (DDC):5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik
Entry in this database:2015/04/02