Communication: A new paradigm for structure prediction in multicomponent systems

Journal of Chemical Physics

Volumn 139, Issue 22, 2013, Pages

  Schebarchov, D ^a   Wales, D J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMBINATORIAL ASPECT; ENERGY FUNCTIONS; GLOBAL OPTIMISATION; GRAPH PARTITIONING PROBLEMS; MULTI-COMPONENT SYSTEMS; OPTIMAL CHEMICALS; ORDERS OF MAGNITUDE; STRUCTURE PREDICTION;

PHYSICAL CHEMISTRY; PHYSICS;

GLOBAL OPTIMIZATION;

EID: 84903363999     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4843956     Document Type: Article

References (21)

1. R. Ferrando, J. Jellinek, and R. L. Johnston, Chem. Rev. 108, 845 (2008); 10.1021/cr040090g
2. Metal Nanoparticles and Nanoalloys, edited by, R. L. Johnston, and, J. P. Wilcoxon, (Elsevier, 2012);
3. F. Calvo, A. Fortunelli, F. Negreiros, and D. J. Wales, J. Chem. Phys. 139, 111102 (2013). 10.1063/1.4821582
4. G. Meng, Science 327, 560 (2010); 10.1126/science.1181263
5. D. Frenkel and D. J. Wales, Nature Mater. 10, 410 (2011); 10.1038/nmat3037
6. S. Hormoz and M. P. Brenner, Proc. Natl. Acad. Sci. U.S.A. 108, 5193 (2011). 10.1073/pnas.1014094108
7. J. Jellinek and E. Krissinel, Theory of Atomic and Molecular Clusters (Springer, 1999), pp. 277-308.
8. Z. Li and H. A. Scheraga, Proc. Natl. Acad. Sci. U.S.A. 84, 6611 (1987). 10.1073/pnas.84.19.6611
9. D. J. Wales and J. P. K. Doye, J. Phys. Chem. A 101, 5111 (1997). 10.1021/jp970984n
10. L. O. Paz-Borbón, Phys. Chem. Chem. Phys. 9, 5202 (2007); 10.1039/b707136a
11. L. O. Paz-Borbón, J. Chem. Phys. 128, 134517 (2008); 10.1063/1.2897435
12. G. G. Rondina and J. L. F. Da Silva, J. Chem. Inf. Model. 53, 2282 (2013). 10.1021/ci400224z
13. D. Bochicchio and R. Ferrando, Nano Lett. 10, 4211 (2010); 10.1021/nl102588p
14. D. Bochicchio and R. Ferrando, Phys. Rev. B 87, 165435 (2013). 10.1103/PhysRevB.87.165435
15. B. W. Kernighan and S. Lin, Bell Syst. Tech. J. 49, 291 (1970). 10.1002/j.1538-7305.1970.tb01770.x
16. X. Lai, R. Xu, and W. Huang, J. Chem. Phys. 135, 164109 (2011). 10.1063/1.3656766
17. M. Sicher, S. Mohr, and S. Goedecker, J. Chem. Phys. 134, 044106 (2011). 10.1063/1.3530590
18. C. Fiduccia and R. M. Mattheyses, in Proceedings of the Nineteenth Design Automation Conference (IEEE, 1982), p. 175.
19. D. J. Wales, GMIN: A program for basin-hopping global optimisation, basin-sampling, and parallel tempering; see http://www-wales.ch.cam.ac.uk/ software.html.
20. J. P. K. Doye and L. Meyer, Phys. Rev. Lett. 95, 063401 (2005). 10.1103/PhysRevLett.95.063401
21. D. J. Wales, The Cambridge Cluster Database, 2001, see http://www-wales.ch.cam.ac.uk/CCD.html.