Atomistic Computer Simulations: A Practical Guide

By: Veronika Brazdova and David R. Bowler

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Synopsis: Many books explain the theory of atomistic computer simulations; this book teaches you how to run themThis 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, and extract the relevant information from the results. Finally, they will know which information needs to be included in their publications.This book includes checklists for planning projects, analyzing output files, and for troubleshooting, as well as pseudo keywords and case studies.The authors provide an accompanying blog for the book with worked examples, and additional material and references: http://www.atomisticsimulations.org/.

Book Quality:: Publisher Quality
ISBN-13:: 9783527671830
Related ISBNs:: 9783527410699
Publisher:: Wiley
Date of Addition:: 01/26/15
Copyrighted By:: WILEY-VCH Verlag GmbH & Co
Adult content:: No
Language:: English
Has Image Descriptions:: No
Categories:: Nonfiction, Science, Earth Sciences, Mathematics and Statistics
Submitted By:: Bookshare Staff
Usage Restrictions:: This is a copyrighted book.