Abstract
In this work we present an algorithm for finding the global minimum of the energy in atomic clusters. The proposed algorithm combines the Monte-Carlo Wang-Landau random walk, local minimizations and heuristic moves of the energetic surface atoms. We test the algorithm with the optimizations of Lennard-Jones clusters. The algorithm is able to obtain each one of the global energy minima that are reported for Lennard-Jones clusters between 2 and 150 atoms.
| Original language | English |
|---|---|
| Pages (from-to) | 215-221 |
| Number of pages | 7 |
| Journal | Journal of Computational Methods in Sciences and Engineering |
| Volume | 9 |
| Issue number | 4-6 |
| DOIs | |
| State | Published - 2009 |
| Externally published | Yes |
Keywords
- Global minimization
- Lennard-Jones clusters
- Monte Carlo simulations
- Wang-Landau algorithm
Fingerprint
Dive into the research topics of 'An algorithm based on Wang-Landau sampling for finding the global minimum of atomic clusters'. Together they form a unique fingerprint.Cite this
- APA
- Author
- BIBTEX
- Harvard
- Standard
- RIS
- Vancouver