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Economic simplex optimization for broad range property prediction: Strengths and weaknesses of an automated approach for tailoring of parameters

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Metadaten
Document Type:Article
Language:English
Author:Thomas J. Müller, Sudip Roy, Wei Zhao, Astrid Maaß, Dirk Reith
Parent Title (English):Fluid Phase Equilibria
Volume:274
Issue:1-2
First Page:27
Last Page:35
ISSN:0378-3812
DOI:https://doi.org/10.1016/j.fluid.2008.06.009
Publisher:Elsevier
Date of first publication:2008/06/27
Keyword:Molecular dynamics; Monte Carlo; Physical property prediction; Simplex optimization; YASP
Dewey Decimal Classification (DDC):5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik
Entry in this database:2015/11/27