Illustration of transition path theory on a collection of simple examples

Journal of Chemical Physics

Volumn 125, Issue 8, 2006, Pages

  Metzner, Philipp ^a   Schütte, Christof ^a   Vanden Eijnden, Eric ^b  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIVED STATES; LOW DIMENSIONAL; RARE EVENTS; TRANSITION PATH THEORY;

PHASE TRANSITIONS; PROBLEM SOLVING; SAMPLING; STATISTICAL METHODS; TRAJECTORIES;

REACTION KINETICS;

ARTICLE; CONFORMATION; DIFFUSION; METHODOLOGY; PHYSICAL CHEMISTRY; PROBABILITY; STATISTICAL MODEL; THEORETICAL MODEL; TIME;

CHEMISTRY, PHYSICAL; DIFFUSION; MODELS, STATISTICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; PROBABILITY; RESEARCH DESIGN; TIME FACTORS;

EID: 33748366393     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2335447     Document Type: Article

References (27)

1. H. Eyring, J. Chem. Phys. 3, 107 (1935).
2. E. Wigner, Trans. Faraday Soc. 34, 29 (1938).
3. T. Yamamoto, J. Chem. Phys. 33, 281 (1960).
4. C. H. Bennett, in Algorithms for Chemical Computation, eds. A. S. Nowick and J. J. Burton (ACS Symposium Series No. 46, 63, 1977).
5. D. Chandler, J. Appl. Phys. 68, 2959 (1978).
6. E. Vanden-Eijnden and F. Tal, J. Chem. Phys. 123, 184103 (2005).
7. F. Tal and E. Vanden-Eijnden, Nonlinearity 19, 501 (2006).
8. P. G. Bolhuis, D. Chandler, C. Dellago, and P. Geissler, Annu. Rev. Phys. Chem. 59, 291 (2002).
9. C. Dellago, P. G. Bolhuis, and P. L. Geissler, Adv. Chem. Phys. 123, 1 (2002).
10. R. Elber, A. Ghosh, and A. Cárdenas, Acc. Chem. Res. 35, 396 (2002).
11. R. Elber, A. Ghosh, A. Cárdenas, and H. Stern, Adv. Chem. Phys. 126, 93 (2003).
12. G. Hummer, J. Chem. Phys. 120, 516 (2004).
13. W. E and E. Vanden-Eijnden, J. Stat. Phys. (in press).
14. E. Vanden-Eijnden, in Computer Simulations in Condensed Matter: from Materials to Chemical Biology, edited by M. Ferrario, G. Ciccotti, and K. Binder (Springer-Verlag, Berlin, in press).
15. W. E, W. Ren, and E. Vanden-Eijnden, Phys. Rev. B 66, 052301 (2002).
16. W. E, W. Ren, and E. Vanden-Eijnden, J. Appl. Phys. 93, 2275 (2003).
17. W. E, W. Ren, and E. Vanden-Eijnden, J. Phys. Chem. B 109, 6688 (2005).
18. W. E, W. Ren, E. Vanden-Eijnden, Chem. Phys. Lett. 413, 242 (2005).
19. W. Ren, E. Vanden-Eijnden, P. Maragakis, and W. E, J. Chem. Phys. 123, 134109 (2005).
20. L. Maragliano, A. Fischer, E. Vanden-Eijnden, and G. Ciccotti, J. Chem. Phys. (to be published).
21. S. Park, M. Sener, D. Lu, and K. Schulten, J. Chem. Phys. 119, 1313 (2003).
22. R. Durrett, Stochastic Calculus (CRC, Boca Raton, FL, 1996).
23. P. Metzner, C. Schütte, E. Vanden-Eijnden, and R. Kornhuber (unpublished).
24. E. Vanden-Eijnden and G. Ciccotti, Chem. Phys. Lett. (submitted).
25. M. I. Freidlin and A. D. Wentzell, Random Perturbations of Dynamical Systems (Springer-Verlag, New York, 1984).
26. C. Schütte, J. Walter, C. Hartmann, and W. Huisinga, Multiscale Model. Simul. 2, 501 (2004).
27. P. Deuflhard and C. Schütte, Proc. Appl. Math. Mech. 116, 91 2004).