Optimized atomistic force fields for aqueous solutions of Magnesium and Calcium Chloride: Analysis, achievements and limitations
| 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 |
| Copyright: | © EDP Sciences, Springer-Verlag 2016 |
| Funding Information: | 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 Elektrotechnik, Maschinenbau und 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 |
