Economic simplex optimization for broad range property prediction: Strengths and weaknesses of an automated approach for tailoring of parameters
| Document Type: | Article |
|---|---|
| Language: | English |
| Author: | Thomas J. Müller, Sudip Roy, Wei Zhao, Astrid Maaß, Dirk Reith |
| Parent Title (English): | Fluid Phase Equilibria |
| Volume: | 274 |
| Issue: | 1-2 |
| First Page: | 27 |
| Last Page: | 35 |
| ISSN: | 0378-3812 |
| DOI: | https://doi.org/10.1016/j.fluid.2008.06.009 |
| Publisher: | Elsevier |
| Date of first publication: | 2008/06/27 |
| Keywords: | Molecular dynamics; Monte Carlo; Physical property prediction; Simplex optimization; YASP |
| Dewey Decimal Classification (DDC): | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
| Entry in this database: | 2015/11/27 |
