Molecular Dynamics With Deterministic and Stochastic Numerical Methods /

• Κύριοι συγγραφείς: Leimkuhler, Ben (Συγγραφέας), Matthews, Charles (Συγγραφέας)
• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Cham : Springer International Publishing : Imprint: Springer, 2015.
• Σειρά: Interdisciplinary Applied Mathematics, 39
• Θέματα: Mathematics.; Applied mathematics.; Engineering mathematics.; Biomathematics.; Applications of Mathematics.; Mathematical and Computational Biology.

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...

Πίνακας περιεχομένων:

• 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.