Hyper-parallel algorithms for centroid molecular dynamics: Application to liquid para-hydrogen

Chemical Physics Letters

Volumn 262, Issue 3-4, 1996, Pages 415-420

  Calhoun, August ^a   Pavese, Marc ^a   Voth, Gregory A ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030588829     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)01109-8     Document Type: Article

References (20)

1. [1] J. Cao and G.A. Voth, J. Chem. Phys. 99 (1993) 10070.
2. [2] J. Cao and G.A. Voth, J. Chem. Phys. 100 (1994) 5106.
3. [3] J. Cao and G.A. Voth, J. Chem. Phys. 101 (1994) 6157.
4. [4] J. Cao and G.A. Voth, J. Chem. Phys. 101 (1994) 6168.
5. [5] M. Pavese and G.A. Voth, Chem. Phys. Lett. 249 (1996) 231.
6. [6] J. Lobaugh and G.A. Voth, J. Chem. Phys. 104 (1996) 2056.
7. [7] D.A. McQuarrie, Statistical mechanics (Harper Collins Publishers, New York, 1976).
8. [8] G.J. Martyna and J. Cao, J. Chem. Phys. 104 (1996) 2028.
9. [9] D. Li and G.A. Voth, J. Chem. Phys. 96 (1992) 5340.
10. [10] D. Li and G.A. Voth, J. Chem. Phys. 100 (1993) 1785.
11. [11] D. Scharf, G.J. Martyna, D. Li, G.A. Voth and M.L. Klein, J. Chem. Phys. 99 (1993) 9013.
12. [12] B.J. Berne and D. Thirumalai, Ann. Rev. Phys. Chem. 37 (1986) 401.
13. [13] J. Cao and B.J. Berne, J. Chem. Phys. 92 (1991) 7531.
14. [14] S. Nosé, J. Chem. Phys. 81 (1984) 511.
15. [15] G.J. Martyna, M.L. Klein and M. Tuckerman, J. Chem. Phys. 97 (1992) 2695.
16. [16] M.E. Tuckerman, B.J. Berne, G.J. Martyna and M.L. Klein, J. Chem. Phys. 99 (1993) 2796.
17. [17] M.E. Tuckerman, D. Marx, M.L. Klein and M. Parrinello, J. Chem. Phys. 104 (1996) 5579.
18. [18] A. Calhoun and G.A. Voth, to be published.
19. [19] I.F. Silvera and V.V. Goldman, J. Chem. Phys. 69 (1978) 4209.
20. [20] M.L. Klein, private communication.