Atomistic computer simulations :
Brázdová, Veronika.
Atomistic computer simulations : a practical guide / Veronika Brázdová and David R. Bowler. - Weinheim : Wiley-VCH, ©2013. - 1 online resource (xxix, 331 pages) : illustrations (some color)
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.
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.
9783527671816 3527671811 9783527671847 3527671846 9781299448711 1299448712 9781118284834 1118284836
476121 MIL
Atoms--Computer simulation.
Molecular dynamics--Computer simulation.
Atoms.
Molecular dynamics--Computer simulation.
Molecules.
SCIENCE--Physics--Nuclear.
Electronic books.
QC171.2 / .B73 2013
539.701/13
Atomistic computer simulations : a practical guide / Veronika Brázdová and David R. Bowler. - Weinheim : Wiley-VCH, ©2013. - 1 online resource (xxix, 331 pages) : illustrations (some color)
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.
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.
9783527671816 3527671811 9783527671847 3527671846 9781299448711 1299448712 9781118284834 1118284836
476121 MIL
Atoms--Computer simulation.
Molecular dynamics--Computer simulation.
Atoms.
Molecular dynamics--Computer simulation.
Molecules.
SCIENCE--Physics--Nuclear.
Electronic books.
QC171.2 / .B73 2013
539.701/13