The big bang-big crunch method is a global optimization approach developed upon the analogy of one of the cosmological theories of the evolution of the universe. It has been suitably combined with a simulated annealing algorithm and used for solving crystal structure from powder diffraction data in direct space. When compared with the traditional simulated annealing method, it provides a significant advance: good solutions are attained in a shorter time. The new method has been implemented in the EXPO package. Its successful application is demonstrated with examples of already known structures.
The hybrid big bang-big crunch method for solving crystal structure from powder diffraction data
Altomare Angela;Corriero Nicola;Cuocci Corrado;Moliterni Anna;Rizzi Rosanna
2013
Abstract
The big bang-big crunch method is a global optimization approach developed upon the analogy of one of the cosmological theories of the evolution of the universe. It has been suitably combined with a simulated annealing algorithm and used for solving crystal structure from powder diffraction data in direct space. When compared with the traditional simulated annealing method, it provides a significant advance: good solutions are attained in a shorter time. The new method has been implemented in the EXPO package. Its successful application is demonstrated with examples of already known structures.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
