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020			_a9780511816581
082			_a532.05 _bR182A
100			_aRapaport, D. _eAuthor _lEnglish _92043
245		4	_aThe Art of Molecular Dynamics Simulation _c/ by D. Rapaport. _h[Electronic Resource]
260			_aCambridge _b: Cambridge University Press, _c2004
300			_axiv, 549p.
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			_aDynamics Simulation _92044
650			_aMolecular Dynamics _915793
650			_aMolecules _92046
856			_uhttps://doi.org/10.1017/CBO9780511816581 _qPDF _yClick to Access the Online Book
942			_cEBK _nYes
999			_c12305 _d12305