Atomistic computer simulations : a practical guide /

• Main Author: Brázdová, Veronika
• Other Authors: Bowler, D. R. (David R.)
• Format: eBook
• Language: English
• Published: Weinheim : Wiley-VCH, [2013]
• Subjects: Atoms > Computer simulation.; Molecular dynamics > Computer simulation.; Atoms.; Molecules.; SCIENCE > Physics > Nuclear.; Electronic books.
• Physical Description: 1 online resource (xxix, 331 pages) : illustrations (some color)
• Bibliography: Includes bibliographical references and index.
• ISBN: 9783527671816; 3527671811; 9783527671847; 3527671846; 9781299448711; 1299448712; 9781118284834; 1118284836
• DOI: 10.1002/9783527671816

This introductory ""how to"" title enables readers to understand, plan, run, and analyze their own independent atomistic simulations, and decide which method to use and which questions to ask in their research project. It is written in a clear and precise language, focusing on a thorough understanding of the concepts behind the equations and how these are used in the simulations. As a result, readers will learn how to design the computational model and which parameters of the simulations are essential, as well as being able to assess whether the results are correct, find and correct errors.