Efficient gradient and Hessian calculations for numerical optimization algorithms applied to atomistic molecular simulations
Document Type: | Article |
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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 |