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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:Springer
Date of first publication:2016/10/10
Copyright:© EDP Sciences, Springer-Verlag 2016
Funding: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.
Departments, institutes and facilities:Fachbereich Ingenieurwissenschaften und Kommunikation
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