Atomistic computer simulations : a practical guide / Veronika Brázdová and David R. Bowler. [electronic resource] Brázdová, Veronika. Bowler, D. R. (David R.) Atoms Computer simulation. Molecular dynamics Computer simulation. QC171.2 .B73 2013 539.701/13 23 Includes bibliographical references and index. Print version record. 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. Weinheim : Wiley-VCH, ©2013. ©2013. 2013 Text 1 online resource (xxix, 331 pages) : http://onlinelibrary.wiley.com/book/10.1002/9783527671816 eng Atomistic computer simulations. Atomistic computer simulations.