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Efficient gradient and Hessian calculations for numerical optimization algorithms applied to atomistic molecular simulations

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Metadaten
Document Type:Article
Language:English
Author:Marco Hülsmann, Sonja Kopp, Markus Huber, Dirk Reith
Parent Title (English):Journal of Physics: Conference Series
Volume:410
Article Number:12007
ISSN:1742-6596
DOI:https://doi.org/10.1088/1742-6596/410/1/012007
Publisher:IOP Publishing
Publication year:2013
Dewey Decimal Classification (DDC):0 Informatik, Informationswissenschaft, allgemeine Werke / 00 Informatik, Wissen, Systeme / 004 Datenverarbeitung; Informatik
5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik
Entry in this database:2015/11/27