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

• Κύριοι συγγραφείς: Griebel, Michael (Συγγραφέας), Zumbusch, Gerhard (Συγγραφέας), Knapek, Stephan (Συγγραφέας)
• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Berlin, Heidelberg : Springer Berlin Heidelberg, 2007.
• Σειρά: Texts in Computational Science and Engineering, 5
• Θέματα: Chemistry.; Chemometrics.; Physical chemistry.; Computer simulation.; Computer mathematics.; Numerical analysis.; Physics.; Physical Chemistry.; Simulation and Modeling.; Computational Science and Engineering.; Numerical Analysis.; Math. Applications in Chemistry.; Theoretical, Mathematical and Computational Physics.

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...

Πίνακας περιεχομένων:

• 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.