Optimized constant pressure stochastic dynamics

Journal of Chemical Physics

Volumn 111, Issue 10, 1999, Pages 4453-4459

  Kolb, A ^a   Dunweg B ^a  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0040651143     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479208     Document Type: Article

References (24)

1. M. P. Allen and D. J. Tildesley, Computer Simulations of Liquids (Oxford University Press, Oxford, 1989).
2. D. C. Rapaport, The Art of Molecular Dynamics Simulation (Cambridge University Press, New York, 1995).
3. D. Frenkel and B. Smit, Understanding Molecular Simulation (Academic, New York, 1996).
4. Monte Carlo Methods in Statistical Physics, edited by K. Binder (Springer, Berlin, 1979).
5. M. Ferrario, in Computer Simulations in Chemical Physics, Vol. 397 of NATO ASI Series C, edited by M. P. Alien and D. J. Tildesley (Kluwer, Dordrecht, 1993), p. 153.
6. M. Sprik, in Observation, Prediction and Simulation of Phase Transitions in Complex Fluids, Vol. 460 of Ref. 5, edited by M. Baus, L. F. Rull, and J.-P. Ryckaert (Kluwer, Dordrecht, 1994), p. 421.
7. M. Sprik, in Monte Carlo and Molecular Dynamics of Condensed Matter Systems, Vol. 49 of Conference Proceedings, edited by K. Binder and G. Ciccotti (Societa Italiana di Fisica, Bologna, 1996), p. 45.
8. H. C. Andersen, J. Chem. Phys. 72, 2384 (1980).
9. S. Nosé, J. Chem. Phys. 81, 511 (1984).
10. W. G. Hoover, Phys. Rev. A 31, 1695 (1985).
11. M. Parrinello and A. Rahman, Phys. Rev. Lett. 45, 1196 (1980).
12. G. L. Martyna, M. Klein, and M. Tuckerman, J. Chem. Phys. 97, 2635 (1992).
13. S. Melchionna, G. Ciccotti, and B. L. Holian, Mol. Phys. 78, 533 (1993).
14. G. J. Martyna, D. J. Tobias, and M. L. Klein, J. Chem. Phys. 101, 4177 (1994).
15. P. Procacci and B. J. Berne, Mol. Phys. 83, 255 (1994).
16. S. E. Feller, Y. Zhang, R. W. Pastor, and B. R. Brooks, J. Chem. Phys. 103, 4613 (1995).
17. T. Schneider and E. Stoll, Phys. Rev. B 17, 1302 (1978).
18. H. Risken, The Fokker - Planck Equation (Springer, Berlin, 1989).
19. M. Tuckerman, G. J. Martyna, and B. J. Berne, J. Chem. Phys. 97, 1990 (1992).
20. A. Kopf, W. Paul, and B. Dünweg, Comput. Phys. Commun. 103, 1 (1997).
21. M. Tuckerman and M. Parrinello, J. Chem. Phys. 101, 1302 (1994).
22. M. Tuckerman and M. Parrinello, J. Chem. Phys. 101, 1316 (1994).
23. J. P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic, New York, 1986).
24. H. Müller-Krumbhaar and K. Binder, J. Stat. Phys. 8, 1 (1973).