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

by Stephan Knapek, Michael Griebel, Gerhard Zumbusch

Computer Simulation - a Key Technology.- From the Schr dinger 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.

• Format: Paperback
• Language: English
• ISBN: 3642087760
• ISBN13: 9783642087769
• Release Date: November 2010
• Publisher: Springer
• Length: 476 Pages
• Weight: 1.50 lbs.
• Dimensions: 1.0" x 6.1" x 9.2"