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Brazdova, Veronika

Atomistic Computer Simulations: A Practical Guide

Brazdova, Veronika - Atomistic Computer Simulations: A Practical Guide, ebook

104,20€

Ebook, ePUB with Adobe DRM
ISBN: 9783527671830
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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, 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/.

Keywords: Mathematical & Computational Physics, atomistic simulations, atomistic simulation parameters, atomistic simulation guide, atomistic simulation introduction, electronic structure calculation, density functional theory, computational model atom, modeling atomic world

Author(s)
 
Publisher
John Wiley and Sons, Inc.
Publication year
2013
Language
en
Edition
1
Page amount
367 pages
Category
Natural Sciences
Format
Ebook
eISBN (ePUB)
9783527671830
Printed ISBN
9783527410699

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