A genetic algorithm for the structural optimization of Morse clusters

Theoretical Chemistry Accounts

Volumn 104, Issue 2, 2000, Pages 123-130

  Roberts, Chris ^a   Johnston, Roy L ^a   Wilson, Nicholas T ^a  

^a UNIVERSITY OF BIRMINGHAM   (United Kingdom)

Author keywords

Clusters; Genetic algorithms; Global minimization; Morse potential

Indexed keywords

EID: 0034386271     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140000117     Document Type: Article

References (44)

1. Holland J (1975) Adaptation in natural and artificial systems. University of Michigan Press. Ann Arbor
2. Goldberg DE (1989) Genetic algorithms in search, optimization and machine learning. Addison-Wesley, Reading, Mass
3. Cartwright HM (1993) Applications of artificial intelligence in chemistry. Oxford University Press, Oxford
4. Doye JPK, Wales DJ (1997) J Chem Soc Faraday Trans 93: 4233
5. Hartke B (1993) J Phys Chem 97: 9973
6. Xiao Y, Williams DE (1993) Chem Phys Lett 215: 17
7. Hartke B (1995) Chem Phys Lett 240: 560
8. Hartke B (1996) Chem Phys Lett 258: 144
9. Gregurick SK, Alexander MH, Hartke B (1996) J Chem Phys 104: 2684
10. Hartke B, Schutz M, Werner HJ (1998) Chem Phys 239: 561
11. Zeiri Y (1995) Phys Rev E 51: 2769
12. Zeiri Y (1997) Comput Phys Commun 103: 28
13. Zeiri Y (1998) J Phys Chem A 102: 2785
14. Deaven DM, Ho KM (1995) Phys Rev Lett 75: 288
15. Deaven DM, Tit N, Morris JR, Ho KM (1996) Chem Phys Lett 256: 195
16. Doye JPK, Wales DJ (1997) J Phys Chem A 101: 5111
17. Li Z, Scheraga HA (1998) J Mol Struct (THEOCHEM) 179: 333
18. Wales DJ, Scheraga HA (1999) Science 285: 1368
19. Niesse JA, Mayne HR (1996) Chem Phys Lett 261: 576
20. Niesse JA, Mayne HR (1996) J Chem Phys 105: 4700
21. Niesse JA, Mayne HR (1997) J Comput Chem 18: 1233
22. While RP, Niesse JA, Mayne HR (1998) J Chem Phys 108: 2208
23. Pullan WJ (1997) Comput Phys Commun 107: 137
24. Pullan WJ (1997) J Chem Inf Comput Sci 37: 1189
25. Pullan WJ (1997) J Comput Chem 18: 1096
26. Hobday S, Smith R (1997) J Chem Soc Faraday Trans 93: 3919
27. Curotto E, Matro A, Freeman DL, Doll JD (1998) J Chem Phys 108: 729
28. Wolf MD, Landmun U (1998) J Phys Chem A 102: 6129
29. Chaudhury P, Bhattacharyya S (1999) Chem Phys 241: 313
30. Michaelian K (1998) Chem Phys Lett 293: 202
31. Garzón KMIL, Beltrán MR, Posada-Amarillas A, Ordejón P. Artacho E, Sánchez-Portal D, Soler JM (1998) Phys Rev Lett 81: 1600
32. Michaelian K (1998) Am J Phys 66: 231
33. Michaelian K, Rendon N, Garzón IL (1999) Phys Rev B 60: 2000
34. Clark DE (1999) Evolutionary algorithms in computer-aided molecular design. http: panizzi.shef.ac.uk.cisrg.linksea_-bib.html
35. Wales DJ, Dove JPK, Dullweber A, Naumkin FY (1997) The Cambridge Cluster Database. http: brian.ch.cam.ac.uk CCD.html
36. Manby FR, Johnston RL, Roberts C (1998) Commun Math Comput Chem 38: 111
37. Morse PM (1929) Phys Rev 34: 57
38. Johnston RL, Roberts C (1999) Cluster geometry optimization genetic algorithm program. University of Birmingham
39. Press WH, Teukolsky SA, Vetterling WT, Flannery BP (1992) Numerical recipes in Fortran 77 2nd edn. Cambridge University Press, Cambridge
40. Byrd RH, Lu P. Nocedal J. Zhu C (1995) J Sci Comput 16: 1190
41. Zhu C, Byrd RH, Lu P, Nocedal J (1995) Northwestern University EECS Technical Report NAM12
42. Lloyd LD, Johnsion RL (1998) Chem Phys 236: 107
43. Harris KDM, Johnston RL, Kariuki BM (1998) Acta Cryst A 54: 632
44. Johnston RL, Wilson NT (1999) Birmingham Cluster Web site. http: www.tc.bham.ac.ukbcweb