Numerical Simulations In Engineering And Science

Numerical Simulations in Engineering and Science

Computational science is one of the rapidly growing multidisciplinary fields. The high-performance computing capabilities are utilized to solve and understand complex problems. This book offers a detailed exposition of the numerical methods that are used in engineering and science. The chapters are arranged in such a way that the readers will be able to select the topics appropriate to their interest and need. The text features a broad array of applications of computational methods to science and technology. This book would be an interesting supplement for the practicing engineers, scientists, and graduate students.

Numerical Simulation in Molecular Dynamics

This book details the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating computer particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text offers step-by-step explanations 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 how to write programs capable of running successful experiments for molecular dynamics.

Direct Numerical Simulations