000			02190nam a22003618i 4500
001			CR9780511816581
003			UkCbUP
005			20221102214123.0
006			m|||||o||d||||||||
007			cr||||||||||||
008			141103s2004||||enk o ||1 0|eng|d
020			_a9780511816581 (ebook)
020			_z9780521825689 (hardback)
020			_z9780521532754 (paperback)
040			_aUkCbUP _beng _erda _cUkCbUP
050	0	0	_aQC173.457.C64 _bR37 2004
082	0	0	_a539/.6 _222
100	1		_aRapaport, D. C., _eauthor. _966957
245	1	4	_aThe art of molecular dynamics simulation / _cD.C. Rapaport.
250			_aSecond edition.
264		1	_aCambridge : _bCambridge University Press, _c2004.
300			_a1 online resource (xiii, 549 pages) : _bdigital, PDF file(s).
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
500			_aTitle from publisher's bibliographic system (viewed on 05 Oct 2015).
520			_aThe extremely powerful technique of molecular dynamics simulation involves solving the classical many-body problem in contexts relevant to the study of matter at the atomistic level. Since there is no alternative approach capable of handling this extremely broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This book, first published in 2004, is a blend of tutorial and recipe collection, providing both an introduction to the subject for beginners and a reference manual for the more experienced practitioner. It is organized as a series of case studies that take the reader through each of the steps from formulating the problem, developing the necessary software, and then using the programs to make actual measurements. The second edition of the book includes a substantial amount of new material as well as completely rewritten software.
650		0	_aCondensed matter _xComputer simulation. _94587
650		0	_aMolecular dynamics _xComputer simulation. _94588
776	0	8	_iPrint version: _z9780521825689
856	4	0	_uhttps://doi.org/10.1017/CBO9780511816581
942			_cETB
999			_c81817 _d81817