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This important book provides a vivid introduction to the procedures, techniques, problems and difficulties of computational nano-engineering and design. The reader is given step by step the scientific background information, for an easy reconstruction of the explanations. The focus is laid on the molecular dynamics method, which is well suited for explaining the topic to the reader with just a basic knowledge of physics. Results and conclusions of detailed nano-engineering studies are presented in an instructive style. In summary, the book puts readers immediately in a position to take their first steps in the field of computational nano-engineering and design.