Accurate Transition Pathway Calculation for Rare Events

Journal of the Korean Physical Society

Volumn 44, Issue 3 I, 2004, Pages 605-610

  Lee, In Ho ^a   Lee, Jooyoung ^b  

^a Korea Research Institute of Standards and Science   (South Korea)

^b Korea Institute for Advanced Study   (South Korea)

Author keywords

Rare event; Transition pathway

Indexed keywords

EID: 1842854610     PISSN: 03744884     EISSN: None     Source Type: Journal    
DOI: 10.3938/jkps.44.605     Document Type: Conference Paper

References (33)

1. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press Inc., New York, 1987).
2. J.-W. Kang and H.-J. Hwang, J. Korean Phys. Soc. 38, 695 (2001).
3. J.-W. Kang and H.-J. Hwang, J. Korean Phys. Soc. 40, 946 (2002).
4. H. W. Han, D. J. Kim and H. K. Chang, J. Korean Phys. Soc. 41, 221 (2002).
5. R. E. Gillilan and K. R. Wilson, J. Chem. Phys. 97, 1757 (1992).
6. R. Olender and R. Elber, J. Chem. Phys. 105, 9299 (1996).
7. C. Dellago, P. G. Bolhuis, F. S. Csajka and D. Chandler, J. Chem. Phys. 108, 1964 (1998).
8. D. Passerone and M. Parrinello, Phys. Rev. Lett. 87, 108302 (2001); D. Passerone, M. Ceccarelli and M. Parrinello, J. Chem. Phys. 118, 2025 (2003).
9. D. Passerone and M. Parrinello, Phys. Rev. Lett. 87, 108302 (2001); D. Passerone, M. Ceccarelli and M. Parrinello, J. Chem. Phys. 118, 2025 (2003).
10. H. Jónsson, G. Mills and K. W. Jacobsen, in Computer Simulation of Rare Events and Dynamics of Classical and Quantum Condensed-Phase Systems: Classical and Quantum Dynamics in Condensed Phase Simulations, edited by B. J. Berne, G. Ciccotti and D. Coker (World Scientific, Singapore, 1998).
11. R. A. Miron and K. A. Fichthorn, J. Chem. Phys. 115, 8742 (2001).
12. W. E, W. Ren and E. Vanden-Eijnden, Phys. Rev. B 66, 052301 (2002).
13. G. T. Barkema and N. Mousseau, Phys. Rev. Lett. 77, 4358 (1996).
14. A. F. Voter, Phys. Rev. Lett. 78, 3908 (1997).
15. V. Zaloj and R. Elber, Comput. Phys. Commun. 128, 118 (2000).
16. R. A. Miron and K. A. Fichthorn, J. Chem. Phys. 119, 6210 (2003).
17. A. F. Voter, Phys. Rev. B 57, R13985 (1998).
18. G. Henkelman and H. Jónsson, J. Chem. Phys. 111, 7010 (1999).
19. J. D. Doll, T. L. Beck and D. L. Freeman, Int. J. Quantum Chem. Quantum Chem. Symp. 23, 73 (1989).
20. A. E. Cho, J. D. Doll and D. L. Freeman, Chem. Phys. Lett. 229, 218 (1994).
21. I.-H. Lee, J. Lee and S. Lee, Phys. Rev. B 68, 064303 (2003).
22. S. Kirkpatric, C. D. Gelatt, Jr. and M. P. Vecchi, Science 220, 671 (1983).
23. L. Verlet, Phys. Rev. 159, 98 (1967).
24. A. J. Stone and D. J. Wales, Chem. Phys. Lett. 128, 501 (1986).
25. J.-Y. Yi and J. Bernholc, J. Chem. Phys. 96, 8634 (1992).
26. P. A. Marcos, M. J. López, A. Rubio and J. A. Alonso, Chem. Phys. Lett. 273, 367 (1997).
27. J. Tersoff, Phys. Rev. Lett. 61, 2879 (1988).
28. S. J. Kearsley, J. Comp. Chem. 11, 1187 (1990).
29. B. W. Smith, M. Monthioux and D. E. Luzzi, Chem. Phys. Lett. 315, 31 (1999); B. W. Smith and D. E. Luzzi, Chem. Phys. Lett. 321, 169 (2000).
30. B. W. Smith, M. Monthioux and D. E. Luzzi, Chem. Phys. Lett. 315, 31 (1999); B. W. Smith and D. E. Luzzi, Chem. Phys. Lett. 321, 169 (2000).
31. D. Liu and J. Nocedal, Mathematical Programming B 45, 503 (1989); W. H. Press, S. A. Teukolsky, W. T. Vetterling and B. P. Flannery, Numerical Recipes in Fortran, The art of scientific computing, 2nd ed. (Cambridge Univ. Press, Cambridge, 1992).
32. D. Liu and J. Nocedal, Mathematical Programming B 45, 503 (1989); W. H. Press, S. A. Teukolsky, W. T. Vetterling and B. P. Flannery, Numerical Recipes in Fortran, The art of scientific computing, 2nd ed. (Cambridge Univ. Press, Cambridge, 1992).
33. I.-H. Lee, Y.-H. Kim and R. M. Martin, Phys. Rev. B 61, 4397(2000).