Evolutionary discovery of transition states in water clusters

Journal of Theoretical and Computational Chemistry

Volumn 11, Issue 5, 2012, Pages 965-995

  Ellabaan, Mostafa M H ^a   Ong, Yew Soon ^a   Nguyen, Q C ^b   Kuo, Jer Lai ^c  

^a NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^b SINGAPORE INSTITUTE OF MANUFACTURING TECHNOLOGY   (Singapore)

^c INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

Author keywords

evolutionary optimization; memetic algorithms; Transition states; water cluster

Indexed keywords

EID: 84865007653     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/s0219633612500654     Document Type: Article

References (50)

1. Robinson G, Water in Biology, Chemistry, and Physics: Experimental Overviews and Computational Methodologies, World Scientific Pub Co Inc, 1996.
2. Liu K, Cruzan J, Saykally R, Science 271:929, 1996.
3. Hartmann D, Science 295:811, 2002.
4. Wigley T, Raper S, Nature 330:6144, 1987.
5. Ludwig R, Angewandte Chemie Int Ed 40:1808, 2001.
6. Maheshwary S, Patel N, Sathyamurthy N et al., J Phys Chem A 105:10525, 2001.
7. Gruenloh C, Carney J, Arrington C et al., Science 276:1678, 1997.
8. Viant M, Cruzan J, Lucas D et al., J Phys Chem A 101:9032, 1997.
9. Hernandez-Rojas J, Breton J, Gomez Llorente JM et al., J Phys Chem B 110:13357, 2006.
10. Wales D, Cambridge Uo, Energy Landscapes: With Applications to Clusters, Biomolecules and Glasses, Cambridge University Press, Cambridge, 2003.
11. Soh H, Ong YS, Quoc CN et al., IEEE Trans Evol Comput 14:419, 2010.
12. Day MB, Kirschner KN, Shields GC, J Phys Chem A 109:6773, 2005.
13. Ellabaan M, Ong Y, Lim M et al., Finding Multiple First Order Saddle Points using a Valley Adaptive Clearing Genetic Algorithm, IEEE, 2010, p. 457.
14. Trygubenko S, Wales D, J Chem Phys 120:2082, 2004.
15. Carr J, Trygubenko S, Wales D, J Chem Phys 122:234903, 2005.
16. Sheppard D, Terrell R, Henkelman G, J Chem Phys 128:134106, 2008.
17. Koslover E, Wales D, J Chem Phys 127:134102, 2007.
18. Chaudhury P, Bhattacharyya SP, J Mol Struct THEOCHEM 429:175, 1998.
19. Bungay SD, Poirier RA, Charron RJ, J Math Chem 28:389, 2000.
20. Chaudhury P, Bhattacharyya SP, Quapp W, Chem Phys 253:295, 2000.
21. Olsen RA, Kroes GJ, Henkelman G et al., J Chem Phys 121:9776, 2004.
22. Choi Y, Pak C, Kim K, J Chem Phys 124:094308, 2006.
23. Wales D, Energy Landscapes: With Applications to Clusters, Biomolecules and Glasses, Cambridge University Press, Cambridge, 2003.
24. Brooks 3rd C, Onuchic J, Wales D, Science (New York, NY) 293:612, 2001.
25. Jensen F, MyiLibrary, Introduction to Computational Chemistry, Wiley, New York, 1999.
26. Hybertsen M, Louie S, Phys Rev Lett 55:1418, 1985.
27. Di Ventra M, Pantelides S, Lang N, Phys Rev Lett 84:979, 2000.
28. Wasserman E, Rustad J, Xantheas S, J Chem Phys 106:9769, 1997.
29. Truong T, Truhlar D, J Chem Phys 93:1761, 1990.
30. Henkelman G, Johannesson G, Jonsson H, Theor Methods Condens Phase Chem 269, 2002.
31. Mishima O, Stanley H, Nature 396:329, 1998.
32. Vega C, Sanz E, Abascal J, J Chem Phys 122:114507, 2005.
33. Trygubenko S, Wales D, Chem Phy 120:2082, 2004.
34. Ong YS, Lim MH, Chen XS, IEEE Comput Intell Mag 5:24, 2010.
35. Moscato P, Caltech Concurrent Computation Program, C3P Report, 1989.
36. Neri F, Toivanen J, Cascella GL et al., IEEE/ACM Trans Comput Biol Bioinf, Special Issue on Comput Intell Approaches Comput Biol Bioinf 4:264, 2007.
37. Handoko SD, Kwoh CK, Ong YS, IEEE Trans Evol Comput 14:740, 2010.
38. Le MN, Ong YS, Jin Y et al., Memetic Comput 1:175, 2009.
39. Nguyen QC, Ong YS, Lim MH, IEEE Trans Evol Comput 13:604, 2009.
40. Ong YS, Keane AJ, IEEE Trans Evol Comput 8, 2004.
41. Kuo J, Klein M, J Chem Phys 122:024516, 2005.
42. Swope W, Andersen H, Berens P et al., J Chem Phys 76:637, 1982.
43. Ellabaan M, Ong Y, Lim M et al., IEEE Int Symp Computational Intelligence in Robotics and Automation (CIRA'09) Daejeon, Korea, IEEE, 2009, p. 457.
44. Ellabaan MMH, Ong YS, 9th Int Conf Intelligent Systems Design and Applications (ISDA'09), Pisa, Italy, 2009, p. 1-6.
45. Schlegel H, J Comput Chem 3:214, 1982.
46. Kok S, Sandrock C, Evol Comput 17:437, 2009.
47. Maeda S, Matsuda Y, Mizutani S et al., J Phys Chem A 114:11896, 2010.
48. Vitela JE, Castaños O, in Proc IEEE Congress on Evolutionary Computation, Hong Kong, 2008, p. 2170.
49. Shir OM, Emmerich M, Bäck T, Evol Comput 18:97, 2010.
50. Nguyen QC, Ong Y-S, Kuo J-L, J Chem Theory Comput 5:2629, 2009.