Numerical Simulation in Molecular Dynamics Numerics, Algorithms, Parallelization, Applications /

Particle models play an important role in many applications in physics, chemistry and biology. They can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail both the necessary numerical methods and techniques (linked-cell method, SPME-method, tree...

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Détails bibliographiques
Cote:Libro Electrónico
Auteurs principaux: Griebel, Michael (Auteur), Knapek, Stephan (Auteur), Zumbusch, Gerhard (Auteur)
Collectivité auteur: SpringerLink (Online service)
Format: Électronique eBook
Langue:Inglés
Publié: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2007.
Édition:1st ed. 2007.
Collection:Texts in Computational Science and Engineering, 5
Sujets:
Physical chemistry.
Computer simulation.
Mathematics-Data processing.
Numerical analysis.
Chemometrics.
Mathematical physics.
Physical Chemistry.
Computer Modelling.
Computational Science and Engineering.
Numerical Analysis.
Mathematical Applications in Chemistry.
Theoretical, Mathematical and Computational Physics.
Accès en ligne:Texto Completo
Table des matières:
  • Computer Simulation - a Key Technology
  • From the Schrödinger Equation to Molecular Dynamics
  • The Linked Cell Method for Short-Range Potentials
  • Parallelization
  • Extensions to More Complex Potentials and Molecules
  • Time Integration Methods
  • Mesh-Based Methods for Long-Range Potentials
  • Tree Algorithms for Long-Range Potentials
  • Applications from Biochemistry and Biophysics
  • Prospects.

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