Assessment of numerical optimization algorithms for the development of molecular models
| Document Type: | Article |
|---|---|
| Language: | English |
| Author: | Marco Hülsmann, Jadran Vrabec, Astrid Maaß, Dirk Reith |
| Parent Title (English): | Computer Physics Communications |
| Volume: | 181 |
| Issue: | 5 |
| First Page: | 887 |
| Last Page: | 905 |
| ISSN: | 0010-4655 |
| DOI: | https://doi.org/10.1016/j.cpc.2010.01.001 |
| Publisher: | Elsevier |
| Date of first publication: | 2010/01/07 |
| Keyword: | Gradient-based algorithms; Lennard-Jones potential; Molecular models; Numerical optimization; Vapor–liquid equilibrium |
| Departments, institutes and facilities: | Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE) |
| Dewey Decimal Classification (DDC): | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
| Entry in this database: | 2015/04/02 |
