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Optimized atomistic force fields for aqueous solutions of Magnesium and Calcium Chloride: Analysis, achievements and limitations

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Metadaten
Document Type:Article
Language:English
Author:Roman Elfgen, Marco Hülsmann, Andreas Krämer, Thorsten Köddermann, Karl N. Kirschner, Dirk Reith
Parent Title (English):The European Physical Journal Special Topics
Volume:225
Issue:8-9
First Page:1391
Last Page:1409
ISSN:1951-6355
DOI:https://doi.org/10.1140/epjst/e2016-60112-7
Publisher:EDP Sciences, Springer-Verlag
Date of first publication:2016/10/10
Note:
The authors would like to acknowledge the financial support supplied by the German Federal Ministery for Education and Research (Bundesministerium für Bildung und Forschung), grant No. 01IH13005B.
Note:
© EDP Sciences, Springer-Verlag 2016
Departments, institutes and facilities:Fachbereich Elektrotechnik, Maschinenbau, Technikjournalismus
Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE)
Projects:Verbundprojekt SkaSim: Skalierbare HPC-Software für molekulare Simulationen in der chemischen Industrie (DE/BMBF/01IH13005B)
Dewey Decimal Classification (DDC):5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik
Entry in this database:2016/10/24