All-atom multiscaling and new ensembles for dynamical nanoparticles

Journal of Chemical Physics

Volumn 125, Issue 4, 2006, Pages

  Miao, Yinglong ^a   Ortoleva, Peter ^a  

^a INDIANA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

INTERATOMIC FORCE FIELD; INTERNAL DYNAMICS; LIOUVILLE EQUATION; MULTISCALE ANALYSIS;

BROWNIAN MOVEMENT; DEGREES OF FREEDOM (MECHANICS); MOLECULAR DYNAMICS; PHASE TRANSITIONS; PROBABILITY DENSITY FUNCTION; VIRUSES;

NANOSTRUCTURED MATERIALS;

NANOPARTICLE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; FOURIER ANALYSIS; METHODOLOGY; MONTE CARLO METHOD; MOVEMENT (PHYSIOLOGY); NANOTECHNOLOGY; PHYSICAL CHEMISTRY; PROBABILITY; STATISTICAL MODEL; THEORETICAL MODEL;

CHEMISTRY, PHYSICAL; FOURIER ANALYSIS; MODELS, CHEMICAL; MODELS, STATISTICAL; MODELS, THEORETICAL; MONTE CARLO METHOD; MOVEMENT; NANOPARTICLES; NANOTECHNOLOGY; PROBABILITY;

EID: 33746789370     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2218838     Document Type: Article

References (35)

1. S. Chandrasekhar, Astrophys. J. 97, 255 (1943).
2. R. I. Cukier and J. M. Deutch, Phys. Rev. 177, 240 (1969).
3. J. M. Deutch and I. Oppenheim, Faraday Discuss. Chem. Soc. 83, 1 (1987).
4. J. E. Shea and I. Oppenheim, J. Phys. Chem. 100, 19035 (1996).
5. J. E. Shea and I. Oppenheim, Physica A 247, 417 (1997).
6. S. Bose and P. Ortoleva, J. Chem. Phys. 70, 3041 (1979).
7. S. Bose and P. Ortoleva, Phys. Lett. 69, 367 (1979).
8. S. Bose, S. Bose, and P. Ortoleva, J. Chem. Phys. 72, 4258 (1980).
9. S. Bose, M. Medina-Noyola, and P. Ortoleva, J. Chem. Phys. 75, 1762 (1981).
10. P. Ortoleva, Nonlinear Chemical Waves (Wiley, New York, 1992).
11. P. Ortoleva, J. Phys. Chem. 109, 21258 (2005).
12. M. H. Peters, J. Chem. Phys. 110, 528 (1998).
13. M. H. Peters, J. Stat. Phys. 94, 557 (1999).
14. W. T. Coffey, Y. P. Kalmykov, and J. T. Waldron, The Langevin Equation with Applications to Stochastic Problems in Physics, Chemistry and Electrical Engineering (World Scientific, River Edge, NJ, 2004).
15. T. Douglas and M. Young, Adv. Mater. (Weinheim, Ger.) 11, 679 (1999).
16. T. Douglas, E. Strable, D. Willits, A. Aitouchen, M. Libera, and M. Young, Adv. Mater. (Weinheim, Ger.) 14, 415 (2002).
17. D. Harries, S. May, W. M. Gelbart, and A. Ben-Shaul, Biophys. J. 75, 159 (1998).
18. B. Speelman, B. R. Brooks, and C. B. Post, Biophys. J. 80, 121 (2001).
19. J. Durup, J. Phys. Chem. 95, 1817 (1991).
20. M. Tuckerman and B. J. Berne, J. Chem. Phys. 95, 8362 (1991).
21. M. Tuckerman, B. J. Berne, and G. J. Martyna, J. Chem. Phys. 94, 6811 (1991).
22. B. Space and H. Rabitz, J. Chem. Phys. 99, 9070 (1993).
23. A. Askar, B. Space, and H. Rabitz, J. Chem. Phys. 99, 7330 (1995).
24. S. Reich, Physica D 89, 28 (1995).
25. D. K. Phelps, P. J. Rossky, and C. B. Post, J. Mol. Biol. 276, 331 (1998).
26. J. Elezgaray and Y. H. Sanejouand, Biopolymers 46, 493 (1998).
27. J. Elezgaray and Y. H. Sanejouand, J. Comput. Chem. 21, 1274 (2000).
28. K. A. Feenstra, B. Hess, and H. J. C. Berendsen, J. Comput. Chem. 20, 786 (1999).
29. M. R. Sorensen and A. F. Voter, J. Chem. Phys. 112, 9599 (2000).
30. H. M. Chun, C. E. Padilla, D. N. Chin et al., J. Comput. Chem. 21, 159 (2000).
31. D. K. Phelps and C. B. Post, J. Mol. Biol. 254, 544 (1995).
32. F. Tama and C. L. Brooks III, J. Mol. Biol. 318, 733 (2002).
33. F. Tama and C. L. Brooks III, J. Mol. Biol. 345, 299 (2005).
34. H. W. T. van Vlijmen and M. Karplus, J. Chem. Phys. 115, 691 (2001).
35. H. W. T. van Vlijmen and M. Karplus, J. Mol. Biol. 350, 528 (2005).