Atomistic Computer Simulations

A Practical Guide

Nonfiction, Science & Nature, Science, Physics, Mathematical Physics
Cover of the book Atomistic Computer Simulations by David R. Bowler, Veronika Brázdová, Wiley
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Author: David R. Bowler, Veronika Brázdová ISBN: 9783527671830
Publisher: Wiley Publication: April 16, 2013
Imprint: Wiley-VCH Language: English
Author: David R. Bowler, Veronika Brázdová
ISBN: 9783527671830
Publisher: Wiley
Publication: April 16, 2013
Imprint: Wiley-VCH
Language: English

Many books explain the theory of atomistic computer simulations; this book teaches you how to run them

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/.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

Many books explain the theory of atomistic computer simulations; this book teaches you how to run them

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/.

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