Computer Simulation of Materials at Atomic Level

Released on by P鈋ter·De鈇k
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  • Computer Simulation of Materials at Atomic Level Book Detail

  • Author : P鈋ter·De鈇k
  • Release Date : 2000
  • Publisher : John Wiley & Sons
  • Genre : Computers
  • Pages : 742
  • ISBN 13 : 9783527402908
  • File Size : 84,84 MB
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Computer Simulation of Materials at Atomic Level by P鈋ter·De鈇k PDF Summary

Book Description: Peter Dea, Thomas Frauenheim, Mark R. Pederson (eds.) Computer Simulation of Materials at Atomic Level Combining theory and applications, this book deals with the modelling of materials properties and phenomena at atomic level. The first part provides an overview of the state-of-the-art of computational solid state physics. Emphasis is given on the understanding of approximations and their consequences regarding the accuracy of the results. This part of the book also deals as a guide to find the best method for a given purpose. The second part offers a potpourri of interesting topical applications, showing what can be achieved by computational modelling. Here the possibilities and the limits of the methods are stressed. A CD-ROM supplies various demo programmes of applications.

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