TY  - BOOK
AU  - Brázdová,Veronika
AU  - Bowler,D.R.
TI  - Atomistic computer simulations: a practical guide 
SN  - 9783527671816
AV  - QC171.2 .B73 2013
U1  - 539.701/13 23
PY  - 2013///
CY  - Weinheim
PB  - Wiley-VCH
KW  - Atoms
KW  - Computer simulation
KW  - Molecular dynamics
KW  - Molecules
KW  - SCIENCE
KW  - Physics
KW  - Nuclear
KW  - bisacsh
KW  - Electronic books
N1  - Includes bibliographical references and index; 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
N2  - 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
UR  - http://onlinelibrary.wiley.com/book/10.1002/9783527671816
ER  -