Open Daily: 10am - 10pm | Alley door pickup 10am - 7pm 3038 Hennepin Ave Minneapolis, MN
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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Numerical Simulation in Molecular Dynamics: Numerics, Algorithms, Parallelization, Applications

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

Griebel, Michael
Knapek, Stephan
Zumbusch, Gerhard

Paperback

Series: Texts in Computational Science and Engineering, Book 5

ChemistryGeneral Mathematics

ISBN10: 3642087760
ISBN13: 9783642087769
Publisher: Springer
Published: Nov 30 2010
Pages: 476
Weight: 1.50
Height: 0.99 Width: 6.14 Depth: 9.21
Language: English

Particle models play an important role in many applications in physics, chemistry and biology. These can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail the necessary numerical methods, the theoretical background and foundations and the techniques involved, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates such aspects as modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text goes on to offer detailed explanations of the different steps of numerical simulation, providing illustrative code examples. With the description of the algorithms and the presentation of the results of various simulations from fields such as material science, nanotechnology, biochemistry and astrophysics, the reader of this book will learn step by step how to write programs capable of running successful experiments for molecular dynamics.

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