Numerical simulation in the dynamics of molecules. Numerics, algorithms, parallelization, applications (Q4429026)

With the advent of parallel systems, there is an increasing interest in parallel computing. This is an excellent book on Numerical Simulation in Molecular Dynamics. After giving a brief introduction on computer simulation, the authors starts with the Schrödinger equation for Molecular Dynamics. Further linked-cell procedures for short range potentials are discussed. How this can be parallelized is also discussed. Lateron more complex potentials and molecules are also covered. The chapter on applications in Biochemistry and Biophysics is an excellent addition. A good number of references are given at the end. This is a very useful book for graduate students in Molecular Dynamics.