Download e-book for iPad: Atomistic Computer Simulations: A Practical Guide by Veronika Brázdová,David R. Bowler

By Veronika Brázdová,David R. Bowler

ISBN-10: 3527410694

ISBN-13: 9783527410699

Many books clarify the speculation of atomistic machine simulations; this ebook teaches you ways to run them

This introductory "how to" name permits readers to appreciate, plan, run, and study their very own autonomous atomistic simulations, and choose which way to use and which inquiries to ask of their examine undertaking. it truly is written in a transparent and designated language, concentrating on a radical figuring out of the recommendations in the back of the equations and the way those are utilized in the simulations. for that reason, readers will layout the computational version and which parameters of the simulations are crucial, in addition to with the ability to determine no matter if the consequences are right, locate and proper mistakes, and extract the correct info from the consequences. eventually, they are going to understand which details should be incorporated of their publications.

This e-book comprises checklists for making plans initiatives, interpreting output records, and for troubleshooting, in addition to pseudo key phrases and case studies.

The authors supply an accompanying weblog for the publication with labored examples, and extra fabric and references: http://www.atomisticsimulations.org/.

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Atomistic Computer Simulations: A Practical Guide by Veronika Brázdová,David R. Bowler


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