Atomistic computer simulations : a practical guide / Veronika Brázdová and David R. Bowler.

By:

Brázdová, Veronika

Contributor(s):

text

Media type:

computer

Carrier type:

online resource

ISBN:

9783527671816
3527671811
9783527671847
3527671846
9781299448711
1299448712
9781118284834
1118284836

Subject(s):

Genre/Form:

Electronic books.

Additional physical formats: Print version:: Atomistic computer simulations.LOC classification:

QC171.2 .B73 2013

Online resources:

Click here to access online

Contents:

pt. 1. The world at the atomic scale -- pt. 2. Introducing equations to describe the system -- pt. 3. Describing interactions between atoms -- pt. 4. Setting up and running the calculation -- pt. 5. Analyzing results.

Summary: 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.

Item type:

eBooks

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Includes bibliographical references and index.

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.

John Wiley and Sons Wiley eBooks