Simulating the Physical World
Hierarchical Modeling from Quantum Mechanics to Fluid Dynamics

From quantum mechanics to fluid dynamics, this 2007 book systematically treats the broad scope of computer modeling and simulations.

Herman J. C. Berendsen (Author)

9780521835275, Cambridge University Press

Hardback, published 12 July 2007

626 pages
24.4 x 17 x 3.3 cm, 1.19 kg

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.

Preface
Symbols, units and constants
1. Introduction
2. Quantum mechanics: principles
3. From quantum to classical
4. Quantum chemistry
5. Mixed quantum/classical dynamics
6. Quantum Corrections
7. Molecular dynamics
8. Free energy, entropy and potential of mean force
9. Sampling phase space
10. Stochastic dynamics
11. Coarse-Graining
12. Dissipative particle dynamics
Topic 1. Fourier transforms
Topic 2. Electromagnetism
Topic 3. Vectors, operators and vector spaces
Topic 4. Mechanics
Topic 5. Review of thermodynamics
Topic 6. Review of statistical mechanics
Topic 7. Linear response theory
Topic 8. Splines
References
Index.

Subject Areas: 3D graphics & modelling [UGK], Materials science [TGM], Fluid mechanics [PHDF], Physics [PH], Mathematics [PB]