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Molecular Simulations With The MD-Grape Special-Purpose Computer

  • Martin J. Field
Conference paper
Part of the Astrophysics and Space Science Library book series (ASSL, volume 263)

Abstract

Fifty years ago computer simulation studies were almost unheard of. Today they are indispensable tools in many areas of human endeavor, notably in science, technology and economics. The causes for this are twofold. First, while a mathematical description or model of a phenomenon is usually possible, the equations arising from such models are often intractable either because they cannot be solved analytically or because the number of variables is too large to be conveniently handled. In these cases the only way to make progress is to resort to approximate or numerical techniques. Second, of course, is the invention, perfection and mass production of the microchip which has brought extraordinary computational power within the reach of even the most miserly research budget. Together these facts have fueled the explosive development of the field of computational science.

Keywords

Molecular Simulation Quantum Mechanical Method Fast Multipole Method Empirical Force Field Fluctuate Charge Model 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media Dordrecht 2001

Authors and Affiliations

  • Martin J. Field
    • 1
  1. 1.Laboratoire de Dynamique MoléculaireInstitute de Biologie Structurale — Jean-Pierre EbelGrenoble Cedex 1France

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