Berendsen, Herman J. C.,
Simulating the physical world : hierarchical modeling from quantum mechanics to fluid dynamics / Herman J.C. Berendsen. - 1 online resource (xxvii, 596 pages) : digital, PDF file(s).
Title from publisher's bibliographic system (viewed on 05 Oct 2015).
Part 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.
The 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.
9780511815348 (ebook)
Physics--Simulation methods.
T57.62 / .B47 2007
530.011
Simulating the physical world : hierarchical modeling from quantum mechanics to fluid dynamics / Herman J.C. Berendsen. - 1 online resource (xxvii, 596 pages) : digital, PDF file(s).
Title from publisher's bibliographic system (viewed on 05 Oct 2015).
Part 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.
The 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.
9780511815348 (ebook)
Physics--Simulation methods.
T57.62 / .B47 2007
530.011