The book "Numerical Simulation in Molecular Dynamics" provides a comprehensive introduction to the numerical methods and techniques required for conducting molecular dynamics simulations. It is aimed at professionals and students in the fields of physics, chemistry, and biology who wish to develop a deeper understanding of particle model simulations. The authors, Michael Griebel, Stephan Knapek, and Gerhard Zumbusch, explain in detail the theoretical foundations as well as the practical aspects of modeling, discretization, and the implementation of algorithms. Special attention is given to the parallel implementation on computer systems with distributed memory. The book includes numerous code examples and describes various steps of numerical simulation, enabling readers to write their own programs and conduct successful experiments. The application areas covered include materials science, nanotechnology, biochemistry, and astrophysics.