Gaussian grid: A computational chemistry experiment over a web service-oriented grid

Theoretical Chemistry Accounts

Volumn 117, Issue 5-6, 2007, Pages 1145-1152

  Sanna, N ^a   Castrignano, T ^a   De Meo, P D'Onorio ^a   Carrabino, D ^a   Grandi, A ^a   Morelli, G ^b   Caruso, P ^b   Barone, V ^b  

^a CASPUR   (Italy)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

Computational chemistry; Grid computing; OGSA; Quantum chemistry; Web services

Indexed keywords

EID: 34247581805     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-006-0227-9     Document Type: Article

References (45)

1. Parr RG, Yang W (1989) Density-functional theory of atoms and molecules. Oxford University Press, New York
2. Koch W, Holthausen MC (2001) A chemist's guide to density functional theory, 2nd edn. Wiley-VCH, Weinheim
3. Marques MAL, Gross EKU (2004) Annu Rev Phys Chem 55:427
4. Tomasi J, Mennucci B, Cammi R (2005) Chem Rev 105:2999
5. Improta R, Barone V (2004) Chem Rev 104:1231
6. Barone V, Polimero A (2006) Phys Chem Chem Phys. DOI 10.1039/b607998a
7. Scalmani G, Barone V, Kudin KN, Pomelli CS, Scuseria GE, Frisch MJ (2004) Theor Chem Acc 111:90
8. Foster I, Kesselman C, Tuecke S (2001) Int J Supercomput Appl 15:3
9. Cerami E (2002) Web services. O'Really
10. Foster C, Kesselman C, Nick JM, Tuecke S (2002) The Physiology of the grid: an open grid services architecture for distributed system integration. http://www.globus.org/alliance/publications/papers/ogsa.pdf
11. Mignone F, Grillo G, Liuni S, Pesole G (2003) Nucl Acids Res 31:4639
12. Castrignano T, Canali A, Grillo G, Liuni S, Mignone F, Pesole G (2004) Nucl Acids Res 32(Web Server issue):W624-W627
13. Castrignano T, D'Onorio De Meo P, Grillo G, Liuni S, Mignone F, Talamo IG, Pesole G (2005) Bioinformatics, November 2
14. D'Onorio De Meo P, Carrabino D Sanna N, Castrignano T, Grillo G, Licciulli F, Liuni S, Re M, Mignone F, Pesole G (2006) FGCS (in press)
15. Foster I, Kesselman C (1997) Int J Supercomput Appl 11:115
16. Frisch MJ, et al. (2003) Gaussian 03, Revision C.02. Gaussian, Inc., Wallingford CT
17. Nagle J (1987) IEEE Trans Commun 35(4):435
18. Katevenis M, Sidiropoulos C, Courcoubetis C (1991) IEEE J Select Areas Commun 9:1265
19. River Stone Networks. Server load balancing: the key to a consistent customer experience. (2002) Technology white paper, No. 101:1-6, http://www.riverstonenet.co.jp/pdf/technology/whitepapers/SLBv5.PDF
20. Li D-C, Wu C, Chang FM (2005) Comp Oper Res 32:2129
21. http://java.sun.com and references therein
22. Chillemi G, Barone V, D'Angelo P, Mancini G, Persson I, Sanna N (2005) J Phys Chem B 109:9186
23. Carbonniere P, Begue D, Dargelos A, Pouchan C (2004) Chem Phys 300:41
24. Scalmani G, Frisch M.T, Mennucci B, Tomasi J, Cammi R, Barone V (2006) J Chem Phys 124:094107
25. Santoro F, Barone V, Improta R (2006) Angew Chem (in press)
26. Barone V (2005) J Chem Phys 122:014108
27. Barone V, Viglione R, (2005) J Chem Phys 123:234304
28. Barone V, Carbonniere P, Pouchan C (2005) J Chem Phys 122:224304
29. Barone V (2004) J Chem Phys 120:3059
30. Miller WH, Hernandez R, Handy NC, Jayatilaka D, Willets A (1990) Chem Phys Lett 172: 62
31. D'Amore M, Talartico G, Barone V (2006) J Am Chem Soc 128:1099
32. Improta R, Barone V, Kudin KN, Scuseria GE (2002) J Am Chem Soc 124:113
33. Improta R, Kudin KN, Scuseria GE, Barone V (2001) J Am Chem Soc 123:3311
34. Improta R, Barone V, Kudin KN, Scuseria GE (2001) J Chem Phys 114:2541
35. Cantele G, Trani F, Ninno D, Cossi M, Barone V (2006) J Phys C 18:2349
36. Festa G, Cossi M, Barone V, Cantele G, Ninno D, Iadonisi G (2005) J Chem Phys 122:184714
37. Car R, Parrinello M (1985) Phys Rev Lett 55:2471
38. Pavone M, Cimino P, De Angelis F, Barone V (2006) J Am Chem Soc 128:4338
39. Schlegel HB, et al. (2001) J Chem Phys 114:9758
40. Iyengar SS, et al. (2001) J Chem Phys 115:10291
41. Schlegel HB, et al. (2002) J Chem Phys 117:8694
42. Rega N, Brancato G, Barone V (2006) Chem Phys Lett 422:367
43. Brancato G, Rega N, Barone V (2006) J Chem Phys, (in press)
44. Sanna N, Morelli G (2004) Comput Phys Commun 162:51
45. VILLAGE, Virtual Laboratory for Large-scale Applications in a Geographically-distributed Environment. http://www.lsdm.campusgrid.unina.it