Advanced multicanonical Monte Carlo methods for efficient simulations of nucleation processes of polymers

Journal of Computational Physics

Volumn 230, Issue 12, 2011, Pages 4454-4465

  Schnabel, Stefan ^a   Janke, Wolfhard ^b   Bachmann, Michael ^c  

^a UNIVERSITY OF GEORGIA   (United States)

^b UNIVERSITY OF LEIPZIG   (Germany)

^c FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

Conformational transition; Lennard Jones cluster; Mackay layer; Monte Carlo computer simulation; Polymer crystallization

Indexed keywords

FREEZING; INTELLIGENT SYSTEMS; NUCLEATION;

CONFORMATIONAL TRANSITIONS; EFFICIENT SIMULATION; FREEZING TRANSITION; LENNARD-JONES CLUSTERS; MACKAY LAYER; MONTE CARLO COMPUTER SIMULATIONS; MONTECARLO METHODS; MULTICANONICAL MONTE CARLO; NUCLEATION PROCESS; POLYMER CRYSTALLIZATION;

MONTE CARLO METHODS;

EID: 79955656400     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2011.02.018     Document Type: Article

References (24)

1. Metropolis N., Rosenbluth A.W., Rosenbluth M.N., Teller A.H., Teller E. J. Chem. Phys. 1953, 21:1087.
2. Swendsen R.H., Wang J.-S. Phys. Rev. Lett. 1986, 57:2607.
3. Geyer C.J. Computing Science and Statistics. Proceedings of the 23rd Symposium on the Interface 1991, 156-163. Interface Foundation, Fairfax, Virginia.
4. Hukushima K., Nemoto K. J. Phys. Soc. Jpn. 1996, 65:1604.
5. Hukushima K., Takayama H., Nemoto K. Int. J. Mod. Phys. C 1996, 7:337.
6. Berg B.A., Neuhaus T. Phys. Lett. B 1991, 267:249.
7. Berg B.A., Neuhaus T. Phys. Rev. Lett. 1992, 68:9.
8. Marinari E., Parisi G. Europhys. Lett. 1992, 19:451.
9. Wang F., Landau D.P. Phys. Rev. Lett. 2001, 86:2050.
10. Schnabel S., Vogel T., Bachmann M., Janke W. Chem. Phys. Lett. 2009, 476:201.
11. Schnabel S., Bachmann M., Janke W. J. Chem. Phys. 2009, 131:124904.
12. Milchev A., Bhattacharaya A., Binder K. Macromolecules 2001, 34:1881.
13. Hastings W.K. Biometrika 1970, 57:97.
14. Favrin G., Irbäck A., Sjunnesson F. J. Chem. Phys. 2001, 114:8154.
15. Jedlovszky P., Mezei M. Mol. Phys. 1999, 96:293.
16. Mezei M. Mol. Phys. 1987, 61:565.
17. Janke W. Computer Simulations of Surfaces and Interfaces. NATO Science Series, II. Mathematics, Physics and Chemistry 2003, 114:137.
18. Mezei M., Bencsath K.A., Goldman S., Singh S. Mol. Simul. 1987, 1:87.
19. Kremer K., Binder K. Comput. Phys. Rep. 1988, 7:259.
20. Karayiannis N.C., Giannousaki A.E., Mavrantzas V.G., Theodorou D.N. J. Chem. Phys. 2002, 117:5465.
21. Reith D., Virnau P. Comput. Phys. Commun. 2010, 181:800.
22. Calvo F., Doye J.P.K., Wales D.J. J. Chem. Phys. 2002, 116:2642.
23. Northby J.A. J. Chem. Phys. 1987, 87:6166.
24. Sharapov V.A., Meluzzi D., Mandelshtam V.A. Phys. Rev. Lett. 2007, 98:105701.