000			01774nam a2200205Ia 4500
005			20250307115550.0
008			230228s2010||||xx |||||||||||||| ||eng||
020			_a9780521825689
041			_aEnglish
082			_a539.6 R37, 2
100			_aRapaport, D. C. _eAuthor _91044
245		0	_aArt of molecular dynamics simulation
250			_a2nd ed.
260			_aCambridge: _bCambridge University Press, _c2010.
300			_axiii, 549p.;21cms.
500			_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. # Updated edition of successful and very favorably reviewed book # Uses detailed case studies that allow real problems to be addressed # Includes a substantial amount of new material as well as completely rewritten software
650			_aComputer simulation _xMolecular dynamics _91045
650			_aComputer simulation _xCondensed matter _91046
942			_cBK
999			_c306 _d306