000			03090nam a2200349 i 4500
001			CR9780511815348
003			UkCbUP
005			20230516164934.0
006			m|||||o||d||||||||
007			cr||||||||||||
008			101021s2007||||enk o ||1 0|eng|d
020			_a9780511815348 (ebook)
020			_z9780521835275 (hardback)
020			_z9780521542944 (paperback)
040			_aUkCbUP _beng _erda _cUkCbUP
050	0	0	_aT57.62 _b.B47 2007
082	0	4	_a530.011 _222
100	1		_aBerendsen, Herman J. C., _eauthor. _968344
245	1	0	_aSimulating the physical world : _bhierarchical modeling from quantum mechanics to fluid dynamics / _cHerman J.C. Berendsen.
264		1	_aCambridge : _bCambridge University Press, _c2007.
300			_a1 online resource (xxvii, 596 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).
505	0		_aPart I : A modeling hierarchy for simulations -- Introduction -- Quantum mechanics : principles and relativistic effects -- From quantum to classical mechanics : when and how -- Quantum chemistry : solving the time-independent Schrödinger equation -- Dynamics of mixed quantum/classical systems -- Molecular dynamics -- Free energy, entropy and potential of mean force -- Stochastic dynamics : reducing degrees of freedom -- Coarse graining from particles to fluid dynamics -- Mesoscopic continuum dynamics -- Dissipative particle dynamics -- Part II : Physical and theoretical concepts -- Fourier transforms -- Electromagnetism -- Vectors, operators and vector spaces -- Lagrangian and Hamiltonian mechanics -- Review of thermodynamics -- Review of statistical mechanics -- Linear response theory -- Splines for everything.
520			_aThe simulation of physical systems requires a simplified, hierarchical approach which models each level from the atomistic to the macroscopic scale. From quantum mechanics to fluid dynamics, this book systematically treats the broad scope of computer modeling and simulations, describing the fundamental theory behind each level of approximation. Berendsen evaluates each stage in relation to its applications giving the reader insight into the possibilities and limitations of the models. Practical guidance for applications and sample programs in Python are provided. With a strong emphasis on molecular models in chemistry and biochemistry, this 2007 book will be suitable for advanced undergraduate and graduate courses on molecular modeling and simulation within physics, biophysics, physical chemistry and materials science. It will also be a useful reference to all those working in the field. Additional resources for this title including solutions for instructors and programs are available online at www.cambridge.org/9780521835275.
650		0	_aPhysics _xSimulation methods. _968345
776	0	8	_iPrint version: _z9780521835275
856	4	0	_uhttps://doi.org/10.1017/CBO9780511815348
942			_cEBK
999			_c82346 _d82346