Systematic coarse-graining of nanoparticle interactions in molecular dynamics simulation

Journal of Physical Chemistry B

Volumn 109, Issue 36, 2005, Pages 17019-17024

  Izvekov, Sergei ^a   Violi, Angela ^a,b   Voth, Gregory A ^a  

^a UNIVERSITY OF UTAH   (United States)

^b UNIVERSITY OF MICHIGAN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBONACEOUS NANOPARTICLES; COARSE-GRAINING; CROSS-GRAINED MODELS; NANOPARTICLE INTERACTIONS;

COMBUSTION; COMPUTER SIMULATION; MOLECULAR DYNAMICS; SELF ASSEMBLY;

NANOSTRUCTURED MATERIALS;

NANOPARTICLE;

ARTICLE; CHEMICAL STRUCTURE;

MODELS, MOLECULAR; NANOPARTICLES;

EID: 25444487536     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0530496     Document Type: Article

References (23)

1. Smit, B.; Esselink, K.; Hilbers, P. A. J.; van Os, N. M.; Rupert, L. A. M.; Szleifer, I. Langmuir 1993, 9, 9.
2. Head-Gordon, T.; Stillinger, F. H. J. Chem. Phys. 1993, 98, 3313.
3. Palmer, B. J.; Liu, J. Langmuir 1996, 12, 746.
4. Goetz, R.; Lipowsky, R. J. J. Chem. Phys. 1998, 108, 7397.
5. Shelley, J. C.; Shelley, M. Y. Curr. Opin. Colloid Interface Sci. 2000, 5, 101.
6. Meyer, H.; Biermann, O.; Faller, R.; Reith, D.; Müller-Plathe, F. J. Chem. Phys. 2000, 113, 6264.
7. Shelley, J. C.; Shelley, M. Y.; Reeder, R. C.; Bandyopadhyay, S.; Klein, M. L. J. Phys. Chem. B 2001, 105, 4464.
8. Garde, S.; Ashbaugh, H. S. J. Chem. Phys. 2001, 115, 977.
9. Marrink, S.; Mark, A. J. Am. Chem. Soc. 2003, 125, 15233.
10. Stevens, M. J.; Hoh, J. H.; Woolf, T. B. Phys. Rev. Lett. 2003, 91, 188102.
11. Marrink, S. J.; de Vries, A. H.; Mark, A. E. J. Phys. Chem. B 2004, 108, 750.
12. Murtola, T.; Falck, E.; Patra, M.; Karttunen, M.; Vattulainena, I. J. Chem. Phys. 2004, 121, 9156.
13. Izvekov, S.; Voth, G. A. J. Phys. Chem. B 2005, 109, 2469.
14. Izvekov, S.; Parrinello, M.; Burnham, C. J.; Voth, G. A. J. Chem. Phys. 2004, 120, 10896.
15. Hone, T. D.; Izvekov, S.; Voth, G. A. J. Chem. Phys. 2005, 122, 54105.
16. Izvekov, S.; Voth, G. A. J. Phys. Chem. B 2005, 109, 6573.
17. Izvekov, S.; Voth, G. A. J. Chem. Phys. 2005, in press.
18. Violi, A.; Sarofim, A. F.; Voth, G. A. Comb. Sci. Technol. 2004, 176, 991.
19. Violi, A. Combust. Flame 2004, 139, 279.
20. Girifulco, L. A.; Hodak, M.; Lee, R. Phys. Rev. B 2000, 62, 13104.
21. Girifalco, L. A. J. Phys. Chem. 1992, 96, 858.
22. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187.
23. Rivlin, T. J. Chebyshev Polynomials; Wiley: New York, 1990.