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Volumn 5462 LNBI, Issue , 2009, Pages 176-186

Towards large-scale molecular dynamics simulations on graphics processors

Author keywords

CUDA; GPU; Molecular dynamics

Indexed keywords

ATOMISTIC MOLECULAR DYNAMICS; CHEMICAL RESEARCH; CHEMICAL SYSTEMS; CUDA; DOUBLE PRECISION; GPU; GRAPHICS PROCESSING UNITS; GRAPHICS PROCESSOR; LARGE-SCALE MOLECULAR DYNAMICS; MD SIMULATION; MULTI-CORE CLUSTER; SINGLE CPU; WATER SIMULATIONS;

EID: 68249094306     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/978-3-642-00727-9_18     Document Type: Conference Paper
Times cited : (16)

References (16)
  • 4
    • 41249087856 scopus 로고    scopus 로고
    • General purpose molecular dynamics simulations fully implemented on graphics processing units
    • Anderson, J.A., Lorenz, C.D., Travesset, A.: General purpose molecular dynamics simulations fully implemented on graphics processing units. J. Comput. Phys. 227, 5342 (2008)
    • (2008) J. Comput. Phys. 227 , pp. 5342
    • Anderson, J.A.1    Lorenz, C.D.2    Travesset, A.3
  • 7
    • 32644484370 scopus 로고    scopus 로고
    • A review of multiscale analysis: Examples from systems biology materials engineering and other fluid-surface interacting systems
    • Vlachos, D.G.: A review of multiscale analysis: Examples from systems biology, materials engineering, and other fluid-surface interacting systems. Adv. Chem. Eng. 30, 1-61 (2005)
    • (2005) Adv. Chem. Eng. 30 , pp. 1-61
    • Vlachos, D.G.1
  • 8
    • 33846339776 scopus 로고    scopus 로고
    • GPU accelerated molecular dynamics simulation of thermal conductivities
    • Yang, J., Wang, Y., Chen, Y.: GPU accelerated molecular dynamics simulation of thermal conductivities. J. Comput. Phys. 221, 799 (2006)
    • (2006) J. Comput. Phys. 221 , pp. 799
    • Yang, J.1    Wang, Y.2    Chen, Y.3
  • 9
    • 30744437399 scopus 로고    scopus 로고
    • Flexible simple point-charge water model with improved liquid-state properties
    • Wu, Y., Tepper, H.L., Voth, G.: Flexible simple point-charge water model with improved liquid-state properties. J. Chem. Phys. 124, 024503 (2006)
    • (2006) J. Chem. Phys. 124 , pp. 024503
    • Wu, Y.1    Tepper, H.L.2    Voth, G.3
  • 11
    • 55649109070 scopus 로고    scopus 로고
    • Nguyen, H. (ed.), ch.31.Addison-Wesley, Boston
    • Nguyen, H. (ed.): GPU Gems 3, ch. 31. Addison-Wesley, Boston (2008)
    • (2008) GPU Gems 3
  • 14
    • 0035789518 scopus 로고    scopus 로고
    • GROMACS 3.0: A package for molecular simulaton and trajectory analysis
    • Lindahl, E., Hess, B., Van der Spoel, D.: GROMACS 3.0: A package for molecular simulaton and trajectory analysis. J. Mol. Model. 7, 306 (2001)
    • (2001) J. Mol. Model. 7 , pp. 306
    • Lindahl, E.1    Hess, B.2    Van Der Spoel, D.3
  • 16
    • 33644879448 scopus 로고    scopus 로고
    • Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field
    • Lamoureux, G., Roux, B.: Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field. J. Phys. Chem. B. 110, 3308 (2006)
    • (2006) J. Phys. Chem. B. 110 , pp. 3308
    • Lamoureux, G.1    Roux, B.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.