000			03336cam a22007093a 4500
001			ocn841050418
003			OCoLC
005			20171107082648.0
006			m o d
007			cr |n|||||||||
008			130426s2013 gw a ob 001 0 eng d
020			_a9783527671816 _q(electronic bk.)
020			_a3527671811 _q(electronic bk.)
020			_a9783527671847 _q(ePDF)
020			_a3527671846 _q(ePDF)
020			_a9781299448711 _q(MyiLibrary)
020			_a1299448712 _q(MyiLibrary)
020			_a9781118284834 _q(e-book)
020			_a1118284836 _q(e-book)
020			_z9783527410699 _q(pbk.)
020			_z3527410694 _q(pbk.)
020			_z9781118218297
029	1		_aAU@ _b000051629099
029	1		_aCHBIS _b010441947
029	1		_aCHVBK _b334085985
029	1		_aDEBBG _bBV041907426
029	1		_aDEBSZ _b431373183
029	1		_aDEBSZ _b449352757
029	1		_aDKDLA _b820120-katalog:000651960
029	1		_aNZ1 _b15340146
029	1		_aDEBBG _bBV043395755
035			_a(OCoLC)841050418 _z(OCoLC)841648908 _z(OCoLC)841906605
037			_a476121 _bMIL
040			_aYDXCP _beng _epn _cYDXCP _dOCLCO _dE7B _dCUS _dIDEBK _dDG1 _dCOO _dCDX _dMHW _dN$T _dCCO _dOCLCQ _dDEBSZ _dDEBBG _dOCLCQ _dEBLCP
049			_aMAIN
050		4	_aQC171.2 _b.B73 2013
072		7	_aSCI _2eflch
072		7	_aSCI _x051000 _2bisacsh
082	0	4	_a539.701/13 _223
100	1		_aBrázdová, Veronika.
245	1	0	_aAtomistic computer simulations : a practical guide / _cVeronika Brázdová and David R. Bowler. _h[electronic resource]
260			_aWeinheim : _bWiley-VCH, _c©2013.
300			_a1 online resource (xxix, 331 pages) : _billustrations (some color)
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
504			_aIncludes bibliographical references and index.
505	0		_apt. 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.
520			_aThis 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.
588	0		_aPrint version record.
650		0	_aAtoms _xComputer simulation.
650		0	_aMolecular dynamics _xComputer simulation.
650		4	_aAtoms.
650		4	_aMolecular dynamics _xComputer simulation.
650		4	_aMolecules.
650		7	_aSCIENCE _xPhysics _xNuclear. _2bisacsh
655		4	_aElectronic books.
700	1		_aBowler, D. R. _q(David R.)
776	0	8	_iPrint version: _aBrázdová, Veronika. _tAtomistic computer simulations. _dWeinheim : Wiley-VCH, ©2013 _z9783527410699 _z3527410694
856	4	0	_uhttp://onlinelibrary.wiley.com/book/10.1002/9783527671816 _zWiley Online Library
942			_2ddc _cBK
999			_c206659 _d206659