Abstract. This paper deals with the mapping of the parallel islandbased genetic algorithm with unidirectional ring migrations to nVidia CUDA software model. The proposed mapping is tested using Rosenbrock's, Griewank's and Michalewicz's benchmark functions. The obtained results indicate that our approach leads to speedups up to seven thousand times higher compared to one CPU thread while maintaining a reasonable results quality. This clearly shows that GPUs have a potential for acceleration of GAs and allow to solve much complex tasks.
Gas-phase experiments in conjunction with CCSD(T) calculations were used to characterize the Fe(N2)+ complex in terms of electronic structure and binding energy. Theory clearly indicates a clear preference for an end-on structure of the N2 ligand to the transition-metal cation, resulting in a 4state. At the highest level of theory, including estimated corrections, the binding energy amounts to 11.9 ± 2.3 kcal/mol. From ligand exchange reactions, equilibration measurements, and theoretical considerations we further conclude N2 is at least 1 kcal/mol more strongly bound to Fe+ than CO2 and 1.7 ± 1.5 kcal/mol more strongly bound that Xe. Entropy drives the replacement of N2 by Xe in the Fe(N2)+ complex at 300 K.
Due to an error during submission of the title article, the following two authors were inadvertently omitted: Robert A. W. Johnstone and Karim Baker. Both are affliated with the Department
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.