Off-lattice Monte Carlo methods for coarse-grained models of polymeric materials and selected applications

Journal of Computer-Aided Materials Design

Volumn 9, Issue 1, 2002, Pages 33-74

  Binder, Kurt ^a   Milchev, Andrey ^b  

^a JOHANNES GUTENBERG UNIVERSITY   (Germany)

^b BULGARIAN ACADEMY OF SCIENCES   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL GEOMETRY; MOLECULAR DYNAMICS; MONTE CARLO METHODS; POLYMERS;

COARSE GRAINED MODELS; OFF LATTICE MONTE CARLO METHODS;

COMPUTER AIDED DESIGN;

EID: 0037504184     PISSN: 09281045     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1023231724539     Document Type: Article

References (64)

1. Allen, M.P., Tildesley, D.J., Computer Simulation of Liquids: Oxford: Clarendon Press, 1987.
2. Cicotti, G., Hoover, W.G. (eds), Molecular Dynamics of Statistical Mechanical Systems. Amsterdam: North-Holland, 1986.
3. Binder, K. (ed.), Monte Carlo Methods in Condensed Matter Physics. Berlin: Springer, 1992.
4. Binder, K., Ciccotti, G. (eds), Monte Carlo and Molecular Dynamics of Condensed Matter Bologna: Italian Physical Society, 1995.
5. Frenkel, D., Smit, B., Understanding Molecular Simulation. From Algorithms to Applications. London: Academic Press, 1996.
6. Landau, D.P., Binder, K., Guide to Monte Carlo Simulation in Statistical Physics. Cambridge: Cambridge University Press, 2000.
7. Potoff, J.J., Panagiotopoulos, A.Z., J. Chem. Phys. 112 (2000) 6411.
8. Binder, K., Monte Carlo Simulation in Polymer Physics: Some Recent Developments. Macromol. Chem., Macromol. Symp., 50 (1991) 1.
9. Flory, P.J., Statistical Mechanics of Chain Molecules. New York: Interscience, 1969.
10. Milchev, A., Bhattacharya, A., Binder, K., Macromolecules 34 (2001) 1881.
11. Binder, K., Monte Carlo and Molecular Dynamics Simulations of Amorphous Polymers. In: J. Bicerano ed Computational Modeling of Polymers. New York: Marcel Dekker, 1992, pp. 221-295.
12. Kremer, K., In: MP Allen, DJ Tildesley (ed), Computer Simulation in Chemical Physics. Dordrecht: Kluwer Acad. Publ., 1993, pp. 397-458.
13. Binder, K. (ed), Monte Carlo and Molecular Dynamics Simulations in Polymer Science. New York: Oxford University Press, 1995.
14. Rigby, D.J., Roe, R.J., J. Chem. Phys., 87 (1987) 7285.
15. Kremer, K., Binder, K., Computer Phys. Reports, 7 (1988) 259.
16. Baschnagel, J., Binder, K., Paul, W., Laso, M., Suter, U.W., Batoulis, I., Jilge, W., Bürger, T., J. Chem. Phys., 95 (1991) 6014.
17. Paul, W., Smith, G.D., Yoon, D.J., Macromolecules, 30 (1997) 7772.
18. Paul, W., In: DP Landau, HB Schüttler (eds), Computer Simulation Studies in Condensed Matter XI. Berlin: Springer, 1999, pp. 197-211.
19. Smith, G.D., Paul, W., Yoon, D.Y., Zirkel, A., Hendricks, J., Richter, D., Schober, H., J. Chem. Phys., 107 (1997) 4751.
20. Doi, M., Edwards, S.F., Theory of Polymer Dynamics. Oxford: Clarendon Press, 1986.
21. Mavrantzas, V.G., Boone, T.D., Zervopoulou, E., and Theodorou, D.N., Macromolecules, 32 (1999) 5072.
22. Tries, V., Paul, W., Baschnagel, J., Binder, K., J. Chem. Phys., 106 (1997) 738.
23. Baschnagel, J., Binder, K., Doruker, P., Gusev, A.A., Hahn, O., Kremer, K., Mattice, W.L., Müller-Plathe, F., Murat, M., Paul, W., Santos, S., Suter, U.W., Tries, V., Adv. Polymer Sci. 152 (2000) 41.
24. Binder, K., Paul, W., J. Polymer Sci. Part B: Polymer Physics, 35 (1997) 1.
25. Gerroff, I., Milchev, A., Binder, K., Paul, W., J. Chem. Phys., 98 (1993) 6526.
26. Milchev, A., Paul, W., Binder, K., J. Chem. Phys., 99 (1993) 4786.
27. Milchev, A., Binder, K., Macromol. Theory Simul., 3 (1994) 915.
28. Yamakov, V., Milchev, A., Binder, K., J. Phys. II. France, 7 (1997) 1123.
29. Viduna, D., Milchev, A., Binder, K., Macromol. Theory Simul., 7 (1998) 649.
30. Milchev, A., Binder, K., Paul, W., Macromol. Theory Simul., 3 (1994) 305.
31. Milchev, A., Binder, K., Macromolecules, 29 (1996) 343.
32. Binder, K., Milchev, A., Baschnagel, J., Annu. Rev. Mater. Sci., 26 (1996) 107.
33. Milchev, A., Binder, K., J. Phys. II France, 6 (1996) 21.
34. Milchev, A., Binder, K., J. Chem. Phys., 106 (1997) 1978.
35. Pandey, R.B., Milchev, A., Binder, K., Macromolecules, 30 (1997) 1194.
36. Milchev, A., Binder, K., Eur. Phys. J. B, 3 (1998) 477.
37. Milchev, A., Binder, K., Langmuir, 15 (1999) 3232.
38. Milchev, A., Yamakov, Y., Binder, K., Europhys. Lett., 47 (1999) 675.
39. Milchev, A., Yamakov, V., Binder, K., Phys. Chem. Chem. Phys., 1 (1999) 2083.
40. Kremer, K., Grest, G.S., J. Chem. Phys. 92 (1990) 5057.
41. Bennemann, C., Paul, W., Binder, K., Dünweg, B., Phys. Rev., E57 (1998) 843.
42. Müller, M., Gonzalez MacDowell, L., Macromolecules, 33 (2000) 3902.
43. Virnau, P., Müller, M., Gonzalez MacDowell, L., Binder, K., Computer Physics Commun., 147 (2002) 378.
44. Yamakov, V., Milchev, A., Phys. Rev., E55 (1997) 1704.
45. Yamakov, V., Milchev, A., Phys. Rev., E56 (1997) 7043.
46. Yamakov, V., Stauffer, D., Milchev, A., Foo, G.M., Pandey, R.B., Phys. Rev. Lett., 79 (1997) 2356.
47. Yamakov, V., Milchev, A., Foo, G.M., Pandey, R.B., Stauffer, D., Europ. Phys. J., B9 (1999) 659.
48. Wittmer, J.P., Milchev, A., Cates, M.E., Europhys. Lett., 41 (1998) 291.
49. Wittmer, J.P., Milchev, A., Cates, M.E., J. Chem. Phys., 109 (1998) 834.
50. Milchev, A., Wittmer, J.P., Landau, D.P. Europ. Phys. J. B, 12 (1999) 241.
51. Yamakov, V., Milchev, A., Borisov, O., Dünweg, B., J. Phys. Cond. Matter, 11 (1999) 9907.
52. Gray, C.G., Gubbins, K.I., Theory of Molecular Fluids. Oxford: Charendon Press, 1982.
53. Haas, F.M., Hilfer, R., Binder, K., J. Phys. Chem., 100 (1996) 15290.
54. de Gennes, P.G., Scaling concepts in polymer physics. Ithaca, Cornell University Press, 1979.
55. Strobl, G.R., The Physics of Polymers. Concepts for Understanding Their Structures and Behavior. Berlin: Springer, 1996.
56. Milchev, A., Binder, K., Europhys. Lett., 26 (1994) 671.
57. Sokal, A.D., Monte Carlo Methods for the Self-Avoiding Walk. In: K. Binder (ed.) Monte Carlo and Molecular Dynamics Simulations in Polymer Science. New York: Oxford University Press, 1995, pp. 47-124.
58. Kremer, K., Binder, K., J. Chem. Phys., 81 (1984) 6381.
59. Paul, W., Binder, K., Heermann, D.W., Kremer, K., J. Chem. Phys., 95 (1991) 7726.
60. Jannink, G., Pfeuty, P., Lapp, A., Cotton, J.P., Europhys. Lett., 27 (1994) 47.
61. Müller, M., Binder, K., Schäfer, L., Macromolecules, 33 (2000) 4568.
62. Rao, M., Berne, B.J., Mol. Phys., 37 (1979) 455.
63. Maier, B., Raedler, J.O., Phys. Rev. Lett., 72 (1999) 1911.
64. Eisenriegler, E., Phys. Rev., E55 (1997) 3116.