The art of molecular dynamics simulation /

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The extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. The second edition of the book includes a substantial amount of new material as well as completely rewritten software...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Rapaport, D. C. (Autor)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Cambridge, UK ; New York, NY : Cambridge University Press, [2004]
Edición:Second edition.
Temas:
Condensed matter > Computer simulation.
Molecular dynamics > Computer simulation.
Matière condensée > Simulation par ordinateur.
Dynamique moléculaire > Simulation par ordinateur.
SCIENCE > Physics > Atomic & Molecular.
Condensed matter > Computer simulation
Molecular dynamics > Computer simulation
Moleculaire dynamica.
Simulatie.
Algoritmen.
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Introduction
  • Basic molecular dynamics
  • Simulating simple systems
  • Equilibrium properties of simple fluids
  • Dynamical properties of simple fluids
  • Alternative ensembles
  • Nonequilibrium dynamics
  • Rigid molecules
  • Flexible molecules
  • Geometrically constrained molecules
  • Internal coordinates
  • Many-body interactions
  • Long-range interactions
  • Step potentials
  • Time-dependent phenomena
  • Granular dynamics.

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