Name: Atomistic Computer Simulations: A Practical Guide
Brand: Wiley
SKU: 9783527410699
Price: 7968.0 INR
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Atomistic Computer Simulations: A Practical Guide

by Veronika Brazdova , David R. Bowler

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ISBN13: 9783527410699
Binding: Paperback
Subject: Physics and Astronomy
Publisher: Wiley
Publisher Imprint: Wiley-VCH
Publication Date: January 1, 2013
Pages: 361
Original Price: USD 134.25
Language: English
Edition: N/A
Item Weight: 772 grams
BISAC Subject(s): Physics / Mathematical & Computational

About The Book

From the Back Cover
This title presents an introduction to atomistic simulations, and is ideal for those wanting both to learn how to run atomistic simulations, and to understand the science and approximations underlying these methods. It will enable the reader to understand, plan, run and analyze simulations, as well as to decide which methods are appropriate for a given problem and what questions should be asked in a research project. It is suitable for researchers in physics, chemistry, biology, materials science, earth sciences and other related disciplines.

Readers will learn how to design the computational model of a system to be simulated and how to select the correct method for a problem. The text also covers the essential parameters for different simulations, assessing the correctness of results, and finding and correcting errors. The analysis and visualisation of results for publication is covered in detail.

This book includes checklists for planning projects, analyzing output fi les, and for troubleshooting, as well as lists of key parameters and case studies.

About The Author

Dr. Veronika Brázdová obtained her PhD from Humboldt University Berlin in 2005 with Professor J. Sauer. She is currently a Postdoctoral Research Fellow at the London Centre for Nanotechnology, University College London. Her research is focused on computational simulations of solid state surfaces and interfaces, using mainly density functional theory. She has been collaborating closely with experimental groups. She is also an experienced programmer, particularly in Fortran 90 and the Message Passing Interface. She has supervised many undergraduate students taking their first steps in computational physics.

Dr. David R. Bowler received his D.Phil. from Oxford University in 1997. He has been a Reader in Physics at UCL since 2005, and held a Royal Society University Research Fellowship from 2002-2010. He is a PI in the London Centre for Nanotechnology and the London-wide Thomas Young Centre. He has driven the development of the massively-parallel linear scaling density functional theory code, Conquest, and collaborates extensively with experimental groups on the growth and properties of nanostructures on semiconductor surfaces.

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