Molecular Dynamics With Deterministic and Stochastic Numerical Methods
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- Hardcover ausgewählt
- Taschenbuch
- eBook
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Sprache:Englisch
Fr. 107.00
inkl. gesetzl. MwSt.,
Beschreibung
Produktdetails
Einband
Gebundene Ausgabe
Erscheinungsdatum
02.06.2015
Abbildungen
XXII, 95 illus., 71 illus. in color., farbige Illustrationen, schwarz-weiss Illustrationen
Verlag
SpringerSeitenzahl
443
Maße (L/B/H)
24.1/16/3.1 cm
Gewicht
862 g
Auflage
2015
Sprache
Englisch
ISBN
978-3-319-16374-1
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 widely in chemistry, physics, materials science and biology. Understanding the foundations of numerical methods means knowing how to select the best one for a given problem (from the wide range of techniques on offer) and how to create new, efficient methods to address particular challenges as they arise in complex applications.
Aimed at a broad audience, this book presents the basic theory of Hamiltonian mechanics and stochastic differential equations, as well as topics including symplectic numerical methods, the handling of constraints and rigid bodies, the efficient treatment of Langevin dynamics, thermostats to control the molecular ensemble, multiple time-stepping,and the dissipative particle dynamics method.
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