Step-by-step explanation of numerical simulation methods for molecular dynamics enables readers to implement and understand the algorithms
Includes detailed code examples and algorithm descriptions for practical learning and application
Covers advanced techniques such as linked cell method, SPME method, tree codes, and multipol technique for a broad understanding
Illustrates applications in material science, nanotechnology, biochemistry, and astrophysics to showcase real-world impact
Parallel implementation with MPI on distributed memory systems provides insights into scalable computing
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Texts in Computational Science and Engineering Numerical Simulation in Molecular Dynamics Numerics, Algorithms, Parallelization, Applications Michael Griebel | Stephan Knapek | Gerhard Zumbusch Science / Chemistry / Physical & Theoretical Particle models play an important role in many applications in physics, chemistry and biology. These c