KuTenk 2000 - SPHY253810-Simulating the Physical World—Hierarchical Modeling from Quantum Mechanics to Fluid Dynamics

by Herman J. C. Berendsen 

2007 (624 pages)

ISBN:9780521835275

From quantum mechanics to fluid dynamics, this book systematically treats the broad scope of computer modeling and simulations, and describes the fundamental theory behind each level of approximation.

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

Preface

Symbols, Units and Constants

Part I - A Modeling Hierarchy for Simulations

Chapter 1

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Introduction

Chapter 2

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Quantum Mechanics—Principles and Relativistic Effects

Chapter 3

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From Quantum to Classical Mechanics—When and How

Chapter 4

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Quantum Chemistry—Solving the Time-Independent Schrödinger Equation

Chapter 5

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Dynamics of Mixed Quantum/Classical Systems

Chapter 6

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Molecular dynamics

Chapter 7

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Free Energy, Entropy and Potential of Mean Force

Chapter 8

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Stochastic Dynamics—Reducing Degrees of Freedom

Chapter 9

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Coarse Graining from Particles to Fluid Dynamics

Chapter 10

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Mesoscopic Continuum Dynamics

Chapter 11

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Dissipative Particle Dynamics

Part II - Physical and Theoretical Concepts

Chapter 12

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Fourier Transforms

Chapter 13

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Electromagnetism

Chapter 14

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Vectors, Operators and Vector Spaces

Chapter 15

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Lagrangian and Hamiltonian Mechanics

Chapter 16

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Review of Thermodynamics

Chapter 17

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Review of Statistical Mechanics

Chapter 18

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Linear Response Theory

Chapter 19

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Splines for Everything

References