|
| | | | |
| | | |
| Stat |
Members: 3645
Articles: 2'506'133
Articles rated: 2609
26 April 2024 |
|
| | | | |
|
Article overview
| |
|
|
The effect of compression on the global optimization of atomic clusters | | Jonathan Doye
; | | Date: |
6 Dec 1999 | | Journal: | Phys. Rev. E, 62, 8753-8761 (2000) DOI: 10.1103/PhysRevE.62.8753 | | Subject: | Condensed Matter; Atomic and Molecular Clusters | cond-mat physics.atm-clus | | Abstract: | Recently, Locatelli and Schoen proposed a transformation of the potential energy that aids the global optimization of Lennard-Jones clusters with non-icosahedral global minima. These cases are particularly difficult to optimize because the potential energy surface has a double funnel topography with the global minimum at the bottom of the narrower funnel. Here we analyse the effect of this type of transformation on the topography of the potential energy surface. The transformation, which physically corresponds to a compression of the cluster, firstly reduces the number of stationary points on the potential energy surface. Secondly, we show that for a 38-atom cluster with a face-centred-cubic global minimum the transformation causes the potential energy surface to become increasingly dominated by the funnel associated with the global minimum. The transformation has been incorporated in the basin-hopping algorithm using a two-phase approach. | | Source: | arXiv, cond-mat/0001066 | | Services: | Forum | Review | PDF | Favorites | |
|
|
No review found.
Did you like this article?
Note: answers to reviews or questions about the article must be posted in the forum section.
Authors are not allowed to review their own article. They can use the forum section.
browser Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com)
|
| |
|
|
|
|
News, job offers and information for researchers and scientists:
| |
REGISTER