Communication: Iteration-free, weighted histogram analysis method in terms of intensive variables

Journal of Chemical Physics

Volumn 135, Issue 6, 2011, Pages

  Kim, Jaegil ^a   Keyes, Thomas ^a   Straub, John E ^a  

^a USA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONVENTIONAL APPROACH; FINITE-SIZE SYSTEMS; INTENSIVE VARIABLES; ITERATIVE EVALUATION; MICROCANONICAL ENTROPY; PARTITION FUNCTIONS; POSTERIOR ANALYSIS; POTTS MODELS; STATISTICAL TEMPERATURE; SYNERGISTIC COMBINATIONS; WEIGHTED HISTOGRAM; WEIGHTED HISTOGRAM ANALYSIS METHOD;

GRAPHIC METHODS;

ARTICLE; CHEMICAL STRUCTURE; ENTROPY; PROCEDURES; STATISTICAL MODEL; TEMPERATURE;

ENTROPY; METHODS; MODELS, MOLECULAR; MODELS, STATISTICAL; TEMPERATURE;

EID: 80051879626     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3626150     Document Type: Article

References (23)

1. A. M. Ferrenberg and R. H. Swendsen, Phys. Rev. Lett. 63, 1195 (1989). 10.1103/PhysRevLett.63.1195
2. M. E. J. Newman and G. T. Barkema, Monte Carlo Methods in Statistical Physics (Clarendon, Oxford, 1999).
3. D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic, San Diego, 1996).
4. S. Kumar, D. Bouzuda, R. H. Swendsen, P. A. Kollman, and J. M. Rosenberg, J. Comput. Chem. 13, 1011 (1992). 10.1002/jcc.540130812
5. M. Souaille and B. Roux, Comput. Phys. Commun. 135, 40 (2001). 10.1016/S0010-4655(00)00215-0 (Pubitemid 32265281)
6. J. Kastner and W. Thiel, J. Chem. Phys. 123, 144104 (2005). 10.1063/1.2052648 (Pubitemid 41476700)
7. J. D. Chodera, W. C. Swope, J. W. Pitera, C. Seok, and K. A. Dill, J. Chem. Theory Comput. 3, 26 (2007). 10.1021/ct0502864
8. T. Bereau and R. H. Swendsen, Comput. Phys. Commun. 228, 6119 (2009). 10.1016/j.jcp.2009.05.011
9. D. H. E. Gross, Rep. Prog. Phys. 53, 605 (1990); 10.1080/ 02783199009553305
10. D. J. Wales and R. S. Berry, Phys. Rev. Lett. 73, 2875 (1994); 10.1103/PhysRevLett.73.2875
11. J. Kim, T. Keyes, and J. E. Straub, Phys. Rev. E 79, 030902(R) (2009). 10.1103/PhysRevE.79.030902
12. J. Kim, Y. Fukunishi, and H. Nakamura, J. Chem. Phys. 121, 1626 (2004); 10.1063/1.1763841
13. J. Kim, Y. Fukunishi, A. Kidera, and H. Nakamura, J. Chem. Phys. 121, 5590 (2004). 10.1063/1.1786578
14. P. D. Beale, Phys. Rev. Lett. 76, 78 (1996). 10.1103/PhysRevLett.76.78
15. C. Tsallis, J. Stat. Phys. 52, 479 (1988). 10.1007/BF01016429
16. J. Kim, T. Keyes, and J. E. Straub, J. Chem. Phys. 132, 224107 (2010); 10.1063/1.3432176
17. J. Kim and J. E. Straub, J. Chem. Phys. 133, 154101 (2010). 10.1063/1.3503503
18. L. G. MacDowell, P. Virnau, M. Muller, and K. Binder, J. Chem. Phys. 120, 5293 (2004). 10.1063/1.1645784
19. B. Bauer, E. Gull, S. Trebst, M. Troyer, and D. A. Huse, J. Stat. Mech. P01020 (2010). 10.1088/1742-5468/2010/01/P01020
20. B. A. Berg and T. Celik, Phys. Rev. Lett. 69, 2292 (1992). 10.1103/PhysRevLett.69.2292
21. U. H. E. Hansmann, Y. Okamoto, and F. Eiseenmenger, Chem. Phys. Lett. 259, 321 (1996); 10.1016/0009-2614(96)00761-0
22. N. Nakajima, H. Nakmura, and A. Kidera, J. Phys. Chem. B 101, 817 (1997); 10.1021/jp962142e
23. J. Kim, Y. Fukunishi, and H. Nakamura, Phys. Rev. E 70, 057103 (2004). 10.1103/PhysRevE.70.057103 (Pubitemid 40086452)