Molecular Dynamics With Deterministic and Stochastic Numerical Methods /

This book describes the mathematical underpinnings of algorithms used for molecular dynamics simulation, including both deterministic and stochastic numerical methods. Molecular dynamics is one of the most versatile and powerful methods of modern computational science and engineering and is used wid...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autores principales: Leimkuhler, Ben (Autor), Matthews, Charles (Autor)
Autor Corporativo: SpringerLink (Online service)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Cham : Springer International Publishing : Imprint: Springer, 2015.
Edición:1st ed. 2015.
Colección:Interdisciplinary Applied Mathematics, 39
Temas:
Mathematics.
Biomathematics.
Applications of Mathematics.
Mathematical and Computational Biology.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • 1.Introduction
  • 2.Numerical Integrators
  • 3.Analyzing Geometric Integrators
  • 4.The Stability Threshold
  • 5.Phase Space Distributions and Microcanonical Averages
  • 6. The Canonical Distribution and Stochastic Differential Equations
  • 7. Numerical Methods for Stochastic Molecular Dynamics
  • 8. Extended Variable Methods
  • References
  • Index.

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