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    JCC
    2008
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    Minimal molecular surfaces and their applications
    13 years 11 months ago
    Minimal molecular surfaces and their applications
    Download  www.math.msu.edu
    Abstract: This article presents a novel concept, the minimal molecular surface (MMS), for the theoretical modeling of biomolecules. The MMS can be viewed as a result of the surface...
    P. W. Bates, G. W. Wei, Shan Zhao
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    JCC
    2008
    92views more  JCC 2008»
    Two-electron integral evaluation on the graphics processor unit
    13 years 11 months ago
    Two-electron integral evaluation on the graphics processor unit
    Download  cs.anu.edu.au
    : We propose the algorithm to evaluate the Coulomb potential in the ab initio density functional calculation on the graphics processor unit (GPU). The numerical accuracy required f...
    Koji Yasuda
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