Assessment of numerical optimization algorithms for the development of molecular models
Document Type: | Article |
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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 |