## Abstract An improved genetic algorithm (GA) is described that has been developed to increase the efficiency of finding the global minimum energy isomers for nanoalloy clusters. The GA is optimized for the example Pt~12~Pd~12~, with specific investigation of: the effect of biasing the initial pop
On the robustness and efficiency of the SAM algorithm for structural optimization
β Scribed by Nielen Stander; J. A. Snyman; J. E. Coster
- Publisher
- John Wiley and Sons
- Year
- 1995
- Tongue
- English
- Weight
- 876 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0029-5981
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π SIMILAR VOLUMES
The heart of the work is a method of structural analysis of planar mechanisms (SAM) allowing for separation of Assur groups, being the smallest kinematically well determined kinematic chains. The algorithm is aimed at minimizing the numerical expense of determining the kinematic parameters (i.e. vel
## Abstract We comment on the paper [Song et al., J. Comput. Chem. 2009, 30, 399]. and discuss the efficiency of the orbital optimization and gradient evaluation in the Valence Bond Self Consistent Field (VBSCF) method. We note that Song et al. neglect to properly reference Broer et al., who publis