메뉴 건너뛰기




Volumn 8, Issue 1-4, 1998, Pages 123-128

Multilevel algorithms for large-scope Molecular Dynamics simulations of nanostructures on parallel computers

Author keywords

Molecular dynamics; Multilevel algorithms; Nanostructures; Parallel computing

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; INTEGRATION; MOLECULAR DYNAMICS; PARALLEL PROCESSING SYSTEMS;

EID: 0032314817     PISSN: 1065514X     EISSN: None     Source Type: Journal    
DOI: 10.1155/1998/93670     Document Type: Article
Times cited : (2)

References (24)
  • 1
    • 0028304096 scopus 로고
    • Selforganized Growth of Strained InGaAs Quantum Disks
    • Nötzel, R., Temmyo, J. and Tamamura, T. (1994). "Selforganized Growth of Strained InGaAs Quantum Disks", Nature, 369, 131.
    • (1994) Nature , vol.369 , pp. 131
    • Nötzel, R.1    Temmyo, J.2    Tamamura, T.3
  • 2
    • 0027644391 scopus 로고
    • Growth of Semiconductor Heterostructures on Patterned Substrate: Defect Reduction and Nanostructures
    • Madhukar, A. (1993). "Growth of Semiconductor Heterostructures on Patterned Substrate: Defect Reduction and Nanostructures", Thin Solid Films, 231, 8.
    • (1993) Thin Solid Films , vol.231 , pp. 8
    • Madhukar, A.1
  • 5
    • 0028714453 scopus 로고
    • Multiresolution Molecular Dynamics Algorithm for Realistic Materials Modeling on Parallel Computers
    • Nakano, A., Kalia, R. K. and Vashishta, P. (1994). "Multiresolution Molecular Dynamics Algorithm for Realistic Materials Modeling on Parallel Computers", Comput. Phys. Commun., 83, 197.
    • (1994) Comput. Phys. Commun. , vol.83 , pp. 197
    • Nakano, A.1    Kalia, R.K.2    Vashishta, P.3
  • 6
    • 0000396658 scopus 로고
    • A Fast Algorithm for Particle Simulations
    • Greengard, L. and Rokhlin, V. (1987). "A Fast Algorithm for Particle Simulations", J. Comput. Phys., 73, 325.
    • (1987) J. Comput. Phys. , vol.73 , pp. 325
    • Greengard, L.1    Rokhlin, V.2
  • 7
    • 0030163950 scopus 로고    scopus 로고
    • Ewald Summation Techniques in Perspective: A Survey
    • [71 Toukmaji, A. Y. and Board, J. A. (1996). "Ewald Summation Techniques in Perspective: A Survey", Comput. Phys. Commun., 95, 73.
    • (1996) Comput. Phys. Commun. , vol.95 , pp. 73
    • Toukmaji, A.Y.1    Board, J.A.2
  • 8
    • 0001471202 scopus 로고
    • Multiple Time-step Methods in Molecular Dynamics
    • Streett, W. B., Tildesley, D. J, and Saville, G. (1978). "Multiple Time-step Methods in Molecular Dynamics", Mol. Phys., 35, 639.
    • (1978) Mol. Phys. , vol.35 , pp. 639
    • Streett, W.B.1    Tildesley, D.J.2    Saville, G.3
  • 9
    • 36449001478 scopus 로고
    • Molecular Dynamics Algorithm for Multiple Time Scales: Systems with Long Range Forces
    • Tuckeman, M. E., Berne, B. J. and Martyna, G. J. (1991). "Molecular Dynamics Algorithm for Multiple Time Scales: Systems with Long Range Forces", J. Chem. Phys., 94, 6811.
    • (1991) J. Chem. Phys. , vol.94 , pp. 6811
    • Tuckeman, M.E.1    Berne, B.J.2    Martyna, G.J.3
  • 10
    • 0026382526 scopus 로고
    • Toward a Better Parallel Performance Metric
    • Sun, X.-. and Gustafson, J. L. (1991). "Toward a Better Parallel Performance Metric", Par. Comp., 17, 1093.
    • (1991) Par. Comp. , vol.17 , pp. 1093
    • Sun, X.1    Gustafson, J.L.2
  • 12
    • 11544280975 scopus 로고    scopus 로고
    • An Adaptive Curvilinear-coordinate Approach to Dynamic Load Balancing of Parallel Multiresolution Molecular Dynamics
    • in press
    • Nakano, A. and Campbell, T. "An Adaptive Curvilinear-coordinate Approach to Dynamic Load Balancing of Parallel Multiresolution Molecular Dynamics", Par. Comp., in press.
    • Par. Comp.
    • Nakano, A.1    Campbell, T.2
  • 13
    • 4244217973 scopus 로고
    • Electronic-structure Calculations in Adaptive Coordinates
    • Gygi, F. (1993). "Electronic-structure Calculations in Adaptive Coordinates", Phys. Rev. B., 48, 11692.
    • (1993) Phys. Rev. B. , vol.48 , pp. 11692
    • Gygi, F.1
  • 14
    • 11544310550 scopus 로고
    • Fuzzy Clustering Approach to Hierarchical Molecular Dynamics Simulation of Multiscale materials Phenomena
    • in press
    • Nakano, A. (1993). "Fuzzy Clustering Approach to Hierarchical Molecular Dynamics Simulation of Multiscale materials Phenomena", Comput. Phys. commun, in press.
    • (1993) Comput. Phys. Commun
    • Nakano, A.1
  • 15
    • 84947409756 scopus 로고
    • Singurarity Free Algorithm for Molecular Dynamics Simulation of Rigid Polyatomics
    • Evans, D. J. and Murad, S. (1977). "Singurarity Free Algorithm for Molecular Dynamics Simulation of Rigid Polyatomics", Mol. Phys., 34, 327.
    • (1977) Mol. Phys. , vol.34 , pp. 327
    • Evans, D.J.1    Murad, S.2
  • 16
    • 84913583406 scopus 로고
    • LIN: A New Algorithm to Simulate Dynamics of Biomolecules by Combining Implicit-integration and Normal Mode Techniques
    • Zhang, G. and Schlick, T. (1993). "LIN: A New Algorithm to Simulate Dynamics of Biomolecules by Combining Implicit-integration and Normal Mode Techniques", J. Comput. Chem., 14, 1212.
    • (1993) J. Comput. Chem. , vol.14 , pp. 1212
    • Zhang, G.1    Schlick, T.2
  • 17
    • 0030621830 scopus 로고    scopus 로고
    • A Family of Symplectic Integrators: Stability, Accuracy, and Molecular Dynamics Applications
    • Skeel, R. D., Zhang, G. and Schlick, T. (1997). "A Family of Symplectic Integrators: Stability, Accuracy, and Molecular Dynamics Applications", SIAM J. Sci. Comput., 18, 203.
    • (1997) SIAM J. Sci. Comput. , vol.18 , pp. 203
    • Skeel, R.D.1    Zhang, G.2    Schlick, T.3
  • 18
  • 19
    • 0000389568 scopus 로고
    • Statistical Mechanics and Phase Transitions in Clustering
    • Rose, K. and Fox, G. C. (1990). "Statistical Mechanics and Phase Transitions in Clustering", Phys. Rev. Lett., 65, 945.
    • (1990) Phys. Rev. Lett. , vol.65 , pp. 945
    • Rose, K.1    Fox, G.C.2
  • 20
    • 35949006578 scopus 로고
    • Electrostatic Potentials for Metal-oxide Surfaces and Interfaces
    • Streitz, F. H. and Mintmire, J. W. (1994)."Electrostatic Potentials for Metal-oxide Surfaces and Interfaces", Phys. Rev. B., 50, 11996.
    • (1994) Phys. Rev. B. , vol.50 , pp. 11996
    • Streitz, F.H.1    Mintmire, J.W.2
  • 21
    • 0031212250 scopus 로고    scopus 로고
    • Parallel Multilevel Preconditioned Conjugate-gradient Approach to Variable-charge Molecular Dynamics
    • Nakano, A. (1997). "Parallel Multilevel Preconditioned Conjugate-gradient Approach to Variable-charge Molecular Dynamics", Comput. Phys. Commun., 104, 59.
    • (1997) Comput. Phys. Commun. , vol.104 , pp. 59
    • Nakano, A.1
  • 23
    • 0001178773 scopus 로고    scopus 로고
    • Morphology of Pores and Interfaces and Mechanical Behavior of Nanocluster-assembled Silicon Nitride Ceramic
    • Kalia, R. K., Nakano, A., Tsuruta, K. and Vashishta, P. (1997). "Morphology of Pores and Interfaces and Mechanical Behavior of Nanocluster-assembled Silicon Nitride Ceramic", Phys. Rev. Lett., 78, 689.
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 689
    • Kalia, R.K.1    Nakano, A.2    Tsuruta, K.3    Vashishta, P.4
  • 24
    • 0001596237 scopus 로고    scopus 로고
    • Role of Ultrafine Microstructures in Dynamic Fracture in Nanophase Silicon Nitride
    • Kalia, R. K., Nakano, A., Omeltchenko, A., Tsuruta, K. and Vashishta, P. (1997). "Role of Ultrafine Microstructures in Dynamic Fracture in Nanophase Silicon Nitride", Phys. Rev. Lett., 78, 2144.
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 2144
    • Kalia, R.K.1    Nakano, A.2    Omeltchenko, A.3    Tsuruta, K.4    Vashishta, P.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.