Coarse-grained kinetic computations for rare events: Application to micelle formation

Journal of Chemical Physics

Volumn 122, Issue 4, 2005, Pages

  Kopelevich, Dmitry I ^a   Panagiotopoulos, Athanassios Z ^a   Kevrekidis, Ioannis G ^a  

^a Princeton University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTERS; FOKKER-PLANCK EQUATIONS; RANDOM NOISE; RARE EVENTS;

CALCULATIONS; DYNAMICS; FREE ENERGY; MATHEMATICAL MODELS; MOLECULES; MONTE CARLO METHODS; SELF ASSEMBLY; SURFACE ACTIVE AGENTS;

MICELLES;

EID: 19944391468     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1839174     Document Type: Article

References (29)

1. E. A. Carter, G. Ciccotti, J. T. Hynes, and R. Kapral, Chem. Phys. Lett. 156, 472 (1989).
2. M. R. Sørensen and A. F. Voter, J. Chem. Phys. 112, 9599 (2000).
3. C. Dellago, P. G. Bolhuis, F. S. Csajka, and D. Chandler, J. Chem. Phys. 108, 1964 (1998).
4. P. L. Geissler, C. Dellago, and D. Chandler, J. Phys. Chem. B 103, 3706 (1999).
5. A. Laio and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A. 99, 12562 (2002).
6. W. Cai, M. H. Kalos, M. de Koning, and V. V. Bulatov, Phys. Rev. E 66, 046703 (2002).
7. G. Hummer and I. G. Kevrekidis, J. Chem. Phys. 118, 10762 (2003).
8. R. G. Larson, L. E. Scriven, and H. T. Davis, J. Chem. Phys. 83, 2411 (1985).
9. R. G. Larson, Journal de physique II 6, 1441 (1996).
10. E. A. G. Aniansson and S. N. Wall, J. Phys. Chem. 78, 1024 (1974).
11. J. C. Neu, J. A. Cañizo, and L. L. Bonilla, Phys. Rev. E 66, 061406 (2002).
12. D. I. Kopelevich, A. Z. Panagiotopoulos, and I. G. Kevrekidis, J. Chem. Phys. 122, 044907 (2005), preceding paper.
13. H. Risken, The Fokker-Planck Equation. Methods of Solution and Applications (Springer, Berlin, 1984).
14. I. G. Kevrekidis, C. W. Gear, J. M. Hyman, P. G. Kevrekidis, O. Runborg, and K. Theodoropoulos, Comm. Math. Sciences 1, 715 (2003).
15. G. W. Gardiner, Handbook of Stochastic Methods for Physics, Chemistry, and the Natural Sciences (Springer, Berlin, 1983).
16. P. Arnold, Phys. Rev. E 61, 6091 (2000).
17. M. A. Floriano, E. Caponetti, and A. Z. Panagiotopoulos, Langmuir 15, 3143 (1999).
18. A. Z. Panagiotopoulos, M. A. Floriano, and S. K. Kumar, Langmuir 18, 2940 (2002).
19. A. Ben-Shaul, I. Szleifer, and W. M. Gelbart, J. Chem. Phys. 83, 3597 (1985).
20. I. Szleifer, A. Ben-Shaul, and W. M. Gelbart, J. Chem. Phys. 83, 3612 (1985).
21. A. D. Mackie, A. Z. Panagiotopoulos, and I. Szleifer, Langmuir 13, 5022 (1997).
22. G. M. Torrie and J. P. Valleau, Chem. Phys. Lett. 28, 578 (1974).
23. C. Theodoropoulos, Y.-H. Qian, and I. G. Kevrekidis, Proc. Natl. Acad. Sci. U.S.A. 97, 9840 (2000).
24. C. W. Gear, I. G. Kevrekidis, and C. Theodoropoulos, Comput. Chem. Eng. 26, 941 (2002).
25. A. G. Makeev, D. Maroudas, and I. G. Kevrekidis, J. Chem. Phys. 116, 10083 (2002).
26. C. W. Gear and I. G. Kevrekidis, SIAM J. Sci. Comput. (USA) 24, 1091 (2003);
27. NEC Technical Report No. NECI-TR, 2001-029, 2001 (unpublished).
28. M. E. Johnson, M. S. Jolly, and I. G. Kevrekidis, Numer. Algorithms 14, 125 (1997).
29. W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in Fortran 77 The Art of Scientific Computing Vol. 1, 2nd ed. (Cambridge University Press, Cambridge, 1992).