-
2
-
-
33846349887
-
A hierarchical O( N log N ) force calculation algorithm
-
Barnes J., Hut P. A hierarchical O(. N log N ) force calculation algorithm Nature. 324:1986;446-449.
-
(1986)
Nature
, vol.324
, pp. 446-449
-
-
Barnes, J.1
Hut, P.2
-
3
-
-
0001788169
-
A domain decomposition strategy for molecular dynamics simulations on distributed memory machines
-
Brown D., Clarke J.H.R., Okuda M., Yamazaki T. A domain decomposition strategy for molecular dynamics simulations on distributed memory machines. Comp. Phys. Comm. 74:1993;67-80.
-
(1993)
Comp. Phys. Comm.
, vol.74
, pp. 67-80
-
-
Brown, D.1
Clarke, J.H.R.2
Okuda, M.3
Yamazaki, T.4
-
4
-
-
0007090395
-
Parallel molecular dynamics
-
T.W. Clark, J.A. McCammon, L.R. Scott, Parallel molecular dynamics, in: Proceedings of the Fifth SIAM Conference on Parallel Processing for Scientific Computing, 1992, pp. 338-344.
-
(1992)
In: Proceedings of the Fifth SIAM Conference on Parallel Processing for Scientific Computing
, pp. 338-344
-
-
Clark, T.W.1
McCammon, J.A.2
Scott, L.R.3
-
5
-
-
0025388712
-
A survey of parallel computer architectures
-
Duncan R. A survey of parallel computer architectures. Computer. 23(2):1990;5-16.
-
(1990)
Computer
, vol.23
, Issue.2
, pp. 5-16
-
-
Duncan, R.1
-
6
-
-
38249040026
-
Choice of time-step in molecular dynamics simulation
-
Fincham D. Choice of time-step in molecular dynamics simulation. Comp. Phys. Comm. 40(2/3):1986;263-269.
-
(1986)
Comp. Phys. Comm.
, vol.40
, Issue.2-3
, pp. 263-269
-
-
Fincham, D.1
-
7
-
-
0019589534
-
Molecular dynamics simulation using the cray-1 vector processing computer
-
Fincham D., Ralston B.J. Molecular dynamics simulation using the cray-1 vector processing computer. Comp. Phys. Comm. 23(2):1981;127-134.
-
(1981)
Comp. Phys. Comm.
, vol.23
, Issue.2
, pp. 127-134
-
-
Fincham, D.1
Ralston, B.J.2
-
8
-
-
0003506603
-
-
Prentice Hall, Englewood Cliffs, NJ
-
G.C. Fox, M.A. Johnson, G.A. Lyzenga, S.W. Otto, J.K. Salmon, D.W. Walker, Solving Problems On Concurrent Processors, vol. 1, Prentice Hall, Englewood Cliffs, NJ, 1988.
-
(1988)
Solving Problems on Concurrent Processors
, vol.1
-
-
Fox, G.C.1
Johnson, M.A.2
Lyzenga, G.A.3
Otto, S.W.4
Salmon, J.K.5
Walker, D.W.6
-
9
-
-
0001672136
-
Symplectic integrators for large scale molecular dynamics simulations: A comparison of several explicit methods
-
Gray S.K., Noid D.W., Sumpter B.G. Symplectic integrators for large scale molecular dynamics simulations: A comparison of several explicit methods. J. Chem. Phys. 101(5):1994;4062-4072.
-
(1994)
J. Chem. Phys.
, vol.101
, Issue.5
, pp. 4062-4072
-
-
Gray, S.K.1
Noid, D.W.2
Sumpter, B.G.3
-
10
-
-
0000396658
-
A fast algorithm for particle simulations
-
Greengard L., Rokhlin V. A fast algorithm for particle simulations. J. Comput. Phys. 73(2):1987;325-348.
-
(1987)
J. Comput. Phys.
, vol.73
, Issue.2
, pp. 325-348
-
-
Greengard, L.1
Rokhlin, V.2
-
11
-
-
0345663602
-
Molecular dynamics algorithm on the connection machine
-
Greenwell D.L., Kalia R.K., Patterson J.C., Vashishta P. Molecular dynamics algorithm on the connection machine. Int. J. High Speed Computing. 1(2):1989;321-328.
-
(1989)
Int. J. High Speed Computing
, vol.1
, Issue.2
, pp. 321-328
-
-
Greenwell, D.L.1
Kalia, R.K.2
Patterson, J.C.3
Vashishta, P.4
-
13
-
-
0007139391
-
Computing aspects of molecular dynamics simulation
-
Gupta S. Computing aspects of molecular dynamics simulation. Comp. Phys. Comm. 70(2):1992;243-270.
-
(1992)
Comp. Phys. Comm.
, vol.70
, Issue.2
, pp. 243-270
-
-
Gupta, S.1
-
14
-
-
0042014120
-
Molecular Dynamics Simulation
-
Wiley, New York
-
J.M. Haile, Molecular Dynamics Simulation, Elementary Methods, Wiley, New York, 1992.
-
(1992)
Elementary Methods
-
-
Haile, J.M.1
-
15
-
-
11644290828
-
Parallel computing and molecular dynamics simulations, computer simulations in chemical physics
-
P.A.J. Hilbers, K. Esselink, Parallel computing and molecular dynamics simulations, computer simulations in chemical physics, in: Proceedings of the NATO Advanced Study Institute on New Perspectives in Computer Simulations in Chemical Physics, 1993, pp. 473-495.
-
(1993)
In: Proceedings of the NATO Advanced Study Institute on New Perspectives in Computer Simulations in Chemical Physics
, pp. 473-495
-
-
Hilbers, P.A.J.1
Esselink, K.2
-
16
-
-
0029322399
-
Parallelizing molecular dynamics programs for distributed-memory machines
-
Hwang Y., Das R., Saltz F.H., Hadošček M., Brooks B.R. Parallelizing molecular dynamics programs for distributed-memory machines. IEEE Comput. Sci. and Engrg. 2(2):1995;18-29.
-
(1995)
IEEE Comput. Sci. and Engrg.
, vol.2
, Issue.2
, pp. 18-29
-
-
Hwang, Y.1
Das, R.2
Saltz, F.H.3
Hadošček, M.4
Brooks, B.R.5
-
17
-
-
0029276252
-
An efficient symplectic integration algorithm for molecular dynamics simulations
-
Janežič D., Merzel F. An efficient symplectic integration algorithm for molecular dynamics simulations. J. Chem. Inf. and Comp. Sci. 35(2):1995;321-326.
-
(1995)
J. Chem. Inf. and Comp. Sci.
, vol.35
, Issue.2
, pp. 321-326
-
-
Janežič, D.1
Merzel, F.2
-
18
-
-
0028426291
-
Parallelization of an implicit Runge-Kutta method for molecular dynamics integration
-
Janežič D., Trobec R. Parallelization of an implicit Runge-Kutta method for molecular dynamics integration. J. Chem. Inf. and Comp. Sci. 34(3):1994;641-646.
-
(1994)
J. Chem. Inf. and Comp. Sci.
, vol.34
, Issue.3
, pp. 641-646
-
-
Janežič, D.1
Trobec, R.2
-
19
-
-
0007122808
-
Portable molecular dynamics software for parallel computing
-
T.G. Mattson, G. RaviShanker, Portable molecular dynamics software for parallel computing, ACS Symposium Series 592, 133-150.
-
ACS Symposium Series
, vol.592
, pp. 133-150
-
-
Mattson, T.G.1
Ravishanker, G.2
-
21
-
-
0345231520
-
Parallel molecular dynamics on connection machines
-
Okunbor D. Parallel molecular dynamics on connection machines. Wuhan J. Natural Sci. 11(3&4):1996;337-343.
-
(1996)
Wuhan J. Natural Sci.
, vol.11
, Issue.3-4
, pp. 337-343
-
-
Okunbor, D.1
-
22
-
-
0002467378
-
Fast parallel algorithms for short-range molecular dynamics
-
Plimpton S. Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 117(1):1995;1-19.
-
(1995)
J. Comput. Phys.
, vol.117
, Issue.1
, pp. 1-19
-
-
Plimpton, S.1
-
23
-
-
0000042162
-
A new parallel method for molecular dynamics simulation of macromolecular systems
-
Plimpton S., Hendrickson B. A new parallel method for molecular dynamics simulation of macromolecular systems. J. Comput. Chem. 17(3):1996;326-337.
-
(1996)
J. Comput. Chem.
, vol.17
, Issue.3
, pp. 326-337
-
-
Plimpton, S.1
Hendrickson, B.2
-
25
-
-
0026624356
-
A replicated data molecular dynamics strategy for the parallel Ewald sum
-
Smith W. A replicated data molecular dynamics strategy for the parallel Ewald sum. Compp. Phys. Comm. 62(3):1992;392-406.
-
(1992)
Compp. Phys. Comm.
, vol.62
, Issue.3
, pp. 392-406
-
-
Smith, W.1
-
26
-
-
0026120011
-
Molecular dynamics on hypercube parallel computers
-
Smith W. Molecular dynamics on hypercube parallel computers. Comp. Phys. Comm. 62(2&3):1991;229-248.
-
(1991)
Comp. Phys. Comm.
, vol.62
, Issue.2-3
, pp. 229-248
-
-
Smith, W.1
-
27
-
-
0028368925
-
Parallel macromolecular simulations and the replicated data strategy
-
Smith W., Forester T.R. Parallel macromolecular simulations and the replicated data strategy. Comp. Phys. Comm. 79(1):1994;52-62.
-
(1994)
Comp. Phys. Comm.
, vol.79
, Issue.1
, pp. 52-62
-
-
Smith, W.1
Forester, T.R.2
-
28
-
-
0029207817
-
Parallel molecular dynamics: Communication requirements for massively parallel machines
-
V.E. Taylor, R.L. Stevens, K.E. Arnold, Parallel molecular dynamics: Communication requirements for massively parallel machines, in: Proceedings of the Fifth Symposium on the Frontiers of Massively Parallel Computation, 1994, pp. 156-163.
-
(1994)
In: Proceedings of the Fifth Symposium on the Frontiers of Massively Parallel Computation
, pp. 156-163
-
-
Taylor, V.E.1
Stevens, R.L.2
Arnold, K.E.3
-
29
-
-
0027658461
-
Parallel algorithms for molecular dynamics integration
-
Trobec R., Jerebic I., Janežič D. Parallel algorithms for molecular dynamics integration. Parallel Computing. 19(9):1993;1029-1039.
-
(1993)
Parallel Computing
, vol.19
, Issue.9
, pp. 1029-1039
-
-
Trobec, R.1
Jerebic, I.2
Janežič, D.3
-
30
-
-
0011473174
-
Advanced algorithms for molecular dynamics simulations: The program PMD
-
Windemuth A. Advanced algorithms for molecular dynamics simulations: The program PMD. ACS Symposium Series. 592:1995;151-169.
-
(1995)
ACS Symposium Series
, vol.592
, pp. 151-169
-
-
Windemuth, A.1
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