03336cam a22007093a 4500 ocn841050418 OCoLC 20171107082648.0 m o d cr |n||||||||| 130426s2013 gw a ob 001 0 eng d 9783527671816 (electronic bk.) 3527671811 (electronic bk.) 9783527671847 (ePDF) 3527671846 (ePDF) 9781299448711 (MyiLibrary) 1299448712 (MyiLibrary) 9781118284834 (e-book) 1118284836 (e-book) 9783527410699 (pbk.) 3527410694 (pbk.) 9781118218297 AU@ 000051629099 CHBIS 010441947 CHVBK 334085985 DEBBG BV041907426 DEBSZ 431373183 DEBSZ 449352757 DKDLA 820120-katalog:000651960 NZ1 15340146 DEBBG BV043395755 (OCoLC)841050418 (OCoLC)841648908 (OCoLC)841906605 476121 MIL YDXCP eng pn YDXCP OCLCO E7B CUS IDEBK DG1 COO CDX MHW N$T CCO OCLCQ DEBSZ DEBBG OCLCQ EBLCP MAIN QC171.2 .B73 2013 SCI eflch SCI 051000 bisacsh 539.701/13 23 Brázdová, Veronika. Atomistic computer simulations : a practical guide / Veronika Brázdová and David R. Bowler. [electronic resource] Weinheim : Wiley-VCH, ©2013. 1 online resource (xxix, 331 pages) : illustrations (some color) text txt rdacontent computer c rdamedia online resource cr rdacarrier 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. Print version record. Atoms Computer simulation. Molecular dynamics Computer simulation. Atoms. Molecular dynamics Computer simulation. Molecules. SCIENCE Physics Nuclear. bisacsh Electronic books. Bowler, D. R. (David R.) Print version: Brázdová, Veronika. Atomistic computer simulations. Weinheim : Wiley-VCH, ©2013 9783527410699 3527410694 http://onlinelibrary.wiley.com/book/10.1002/9783527671816 Wiley Online Library ddc BK 206659 206659